REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2ww0_1_A DATA FIRST_RESID 20 DATA SEQUENCE KDWTQYVNPL MGSQSTFELS TGNTYPAIAR PWGMNFWTPQ TGKMGDGWQY DATA SEQUENCE TYTANKIRGF KQTHQPSPWI NDYGQFSIMP IVGQPVFDEE KRASWFAHKG DATA SEQUENCE EVATPYYYKV YLAEHDIVTE MTPTERAVLF RFTFPENDHS YVVVDAFDKG DATA SEQUENCE SYIKIIPEEN KIIGYTTRNS GGVPENFKNY FIIEFDKPFT YKATVENGNL DATA SEQUENCE QENVAEQTTD HAGAIIGFKT RKGEQVNARI ASSFISFEQA AANMNELGKD DATA SEQUENCE NIEQLAQKGK DAWNQVLGKI EVEGGNLDQY RTFYSCLYRS LLFPRKFYEL DATA SEQUENCE DANGQPIHYS PYNGQVLPGY MFTDTGFWDT FRCLFPLLNL MYPSVNKEMQ DATA SEQUENCE EGLINTYLES GFFPEWASPG HRGCMVGNNS ASILVDAYMK GVKVDDIKTL DATA SEQUENCE YEGLIHGTEN VHPEVSSTGR LGYEYYNKLG YVPYDVKINE NAARTLEYAY DATA SEQUENCE DDWCIYRLAK ELKRPKKEIS LFAKRAMNYK NLFDKESKLM RGRNEDGTFQ DATA SEQUENCE SPFSPLKWGD AFTEGNSWHY TWSVFHDPQG LIDLMGGKEM FVTMMDSVFA DATA SEQUENCE VPPIFDDSYY GQVIHEIREM TVMNMGNYAH GNQPIQHMIY LYDYAGQPWK DATA SEQUENCE AQYWLRQVMD RMYTPGPDGY CGDEDNGQTS AWYVFSALGF YPVCPGTDEY DATA SEQUENCE VMGTPLFKKA TLHFENGNSL VIDAPNNSTE NFYIDSMSFN GADHTKNYLR DATA SEQUENCE HEDLFKGGTI KVDMSNRPNL NRGTKEEDMP YSFSKE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 K HA 0.000 nan 4.320 nan 0.000 0.191 20 K C 0.000 176.098 176.600 -0.837 0.000 0.988 20 K CA 0.000 55.953 56.287 -0.556 0.000 0.838 20 K CB 0.000 32.183 32.500 -0.529 0.000 1.064 21 D N 3.163 123.092 120.400 -0.784 0.000 2.381 21 D HA 0.337 4.977 4.640 -0.000 0.000 0.235 21 D C 0.153 176.024 176.300 -0.716 0.000 1.068 21 D CA -0.430 53.218 54.000 -0.587 0.000 0.832 21 D CB 0.554 41.126 40.800 -0.379 0.000 1.101 21 D HN 0.469 nan 8.370 nan 0.000 0.515 22 W N 2.492 123.656 121.300 -0.227 0.000 3.114 22 W HA -0.004 4.656 4.660 -0.000 0.000 0.279 22 W C 1.849 178.215 176.519 -0.255 0.000 1.277 22 W CA 0.574 57.720 57.345 -0.331 0.000 1.630 22 W CB -0.209 28.940 29.460 -0.517 0.000 1.087 22 W HN 0.534 nan 8.180 nan 0.000 0.637 23 T N -0.729 113.826 114.554 0.002 0.000 2.881 23 T HA -0.285 4.065 4.350 -0.000 0.000 0.270 23 T C 1.658 176.313 174.700 -0.075 0.000 1.068 23 T CA 1.582 63.692 62.100 0.017 0.000 1.131 23 T CB -0.445 68.500 68.868 0.128 0.000 0.871 23 T HN 0.366 nan 8.240 nan 0.000 0.479 24 Q N 0.000 119.660 119.800 -0.233 0.000 2.297 24 Q HA -0.149 4.191 4.340 -0.000 0.000 0.208 24 Q C 1.338 177.186 176.000 -0.253 0.000 0.981 24 Q CA 1.385 57.003 55.803 -0.309 0.000 0.876 24 Q CB -0.791 27.634 28.738 -0.521 0.000 0.921 24 Q HN 0.628 nan 8.270 nan 0.000 0.446 25 Y N 0.471 120.797 120.300 0.044 0.000 2.500 25 Y HA 0.222 4.772 4.550 -0.000 0.000 0.270 25 Y C 0.609 176.580 175.900 0.118 0.000 1.134 25 Y CA -0.697 57.489 58.100 0.143 0.000 1.293 25 Y CB 0.623 39.265 38.460 0.303 0.000 1.063 25 Y HN -0.122 nan 8.280 nan 0.000 0.534 26 V N 2.450 122.437 119.914 0.122 0.000 2.455 26 V HA 0.055 4.175 4.120 -0.000 0.000 0.273 26 V C -0.083 175.935 176.094 -0.127 0.000 1.045 26 V CA -0.485 61.789 62.300 -0.042 0.000 0.976 26 V CB 0.550 32.187 31.823 -0.310 0.000 0.993 26 V HN 0.248 nan 8.190 nan 0.000 0.475 27 N N 7.426 126.086 118.700 -0.067 0.000 2.621 27 N HA 0.396 5.136 4.740 -0.000 0.000 0.237 27 N C -1.992 173.477 175.510 -0.067 0.000 0.997 27 N CA -2.235 50.781 53.050 -0.056 0.000 0.918 27 N CB 1.989 40.483 38.487 0.012 0.000 1.122 27 N HN 0.202 nan 8.380 nan 0.000 0.510 28 P HA 0.030 nan 4.420 nan 0.000 0.234 28 P C 0.760 178.089 177.300 0.048 0.000 1.167 28 P CA 0.762 63.814 63.100 -0.079 0.000 0.763 28 P CB 0.303 31.895 31.700 -0.179 0.000 0.835 29 L N -2.232 119.032 121.223 0.069 0.000 2.567 29 L HA 0.190 4.530 4.340 -0.000 0.000 0.225 29 L C 1.318 178.264 176.870 0.126 0.000 1.119 29 L CA -0.139 54.786 54.840 0.142 0.000 0.871 29 L CB -0.385 41.795 42.059 0.202 0.000 1.036 29 L HN 0.096 nan 8.230 nan 0.000 0.459 30 M N 0.895 120.556 119.600 0.102 0.000 2.307 30 M HA 0.203 4.683 4.480 -0.000 0.000 0.346 30 M C 0.982 177.415 176.300 0.221 0.000 1.552 30 M CA 1.135 56.490 55.300 0.093 0.000 1.116 30 M CB 0.201 32.834 32.600 0.054 0.000 1.889 30 M HN 0.255 nan 8.290 nan 0.000 0.460 31 G N 2.308 111.235 108.800 0.210 0.000 2.176 31 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.232 31 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.232 31 G C 0.527 175.568 174.900 0.234 0.000 0.986 31 G CA 0.493 45.772 45.100 0.299 0.000 0.643 31 G HN 0.892 nan 8.290 nan 0.000 0.522 32 S N -0.978 114.868 115.700 0.243 0.000 2.528 32 S HA 0.230 4.700 4.470 -0.000 0.000 0.219 32 S C 1.119 175.921 174.600 0.337 0.000 0.985 32 S CA 0.990 59.403 58.200 0.353 0.000 0.914 32 S CB 0.257 63.779 63.200 0.537 0.000 0.776 32 S HN 0.503 nan 8.310 nan 0.000 0.526 33 Q N 2.053 121.986 119.800 0.223 0.000 3.207 33 Q HA 0.374 4.714 4.340 -0.000 0.000 0.335 33 Q C -1.011 175.086 176.000 0.162 0.000 1.374 33 Q CA -0.302 55.614 55.803 0.188 0.000 1.023 33 Q CB -0.010 28.763 28.738 0.057 0.000 1.576 33 Q HN 0.399 nan 8.270 nan 0.000 0.515 34 S N -0.083 115.744 115.700 0.212 0.000 2.568 34 S HA 0.644 5.114 4.470 -0.000 0.000 0.302 34 S C -0.232 174.472 174.600 0.174 0.000 1.082 34 S CA -0.705 57.617 58.200 0.203 0.000 1.009 34 S CB 1.883 65.241 63.200 0.264 0.000 1.069 34 S HN 0.533 nan 8.310 nan 0.000 0.500 35 T N -1.422 113.189 114.554 0.095 0.000 2.907 35 T HA 0.539 4.889 4.350 -0.000 0.000 0.290 35 T C 0.592 175.274 174.700 -0.029 0.000 1.066 35 T CA -0.779 61.292 62.100 -0.048 0.000 1.012 35 T CB 0.543 69.389 68.868 -0.036 0.000 1.184 35 T HN 0.342 nan 8.240 nan 0.000 0.522 36 F N 1.322 121.059 119.950 -0.356 0.000 2.154 36 F HA -0.046 4.481 4.527 0.000 0.000 0.301 36 F C 2.041 177.868 175.800 0.044 0.000 1.087 36 F CA 1.823 59.706 58.000 -0.195 0.000 1.274 36 F CB -0.156 38.653 39.000 -0.320 0.000 1.009 36 F HN 0.706 nan 8.300 nan 0.000 0.485 37 E N -0.214 120.062 120.200 0.128 0.000 2.170 37 E HA 0.109 4.459 4.350 -0.000 0.000 0.191 37 E C -0.378 176.258 176.600 0.060 0.000 0.981 37 E CA 0.553 57.010 56.400 0.095 0.000 0.830 37 E CB 0.201 29.966 29.700 0.107 0.000 0.775 37 E HN 0.251 nan 8.360 nan 0.000 0.470 38 L N -0.053 121.204 121.223 0.058 0.000 2.482 38 L HA 0.369 4.709 4.340 -0.000 0.000 0.269 38 L C -1.080 175.840 176.870 0.084 0.000 0.967 38 L CA -0.467 54.417 54.840 0.073 0.000 0.851 38 L CB 2.108 44.196 42.059 0.049 0.000 1.242 38 L HN -0.171 nan 8.230 nan 0.000 0.404 39 S N 1.471 117.243 115.700 0.119 0.000 2.499 39 S HA 0.504 4.974 4.470 -0.000 0.000 0.279 39 S C 0.733 175.412 174.600 0.131 0.000 1.219 39 S CA 0.217 58.492 58.200 0.125 0.000 1.062 39 S CB 0.827 64.110 63.200 0.139 0.000 0.978 39 S HN 0.759 nan 8.310 nan 0.000 0.489 40 T N 1.190 115.828 114.554 0.139 0.000 3.215 40 T HA 0.551 4.901 4.350 -0.000 0.000 0.271 40 T C 1.066 175.907 174.700 0.235 0.000 1.012 40 T CA 0.227 62.416 62.100 0.148 0.000 0.899 40 T CB 0.155 69.087 68.868 0.107 0.000 1.089 40 T HN 1.115 nan 8.240 nan 0.000 0.552 41 G N 1.443 110.354 108.800 0.184 0.000 3.382 41 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.214 41 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.214 41 G C 0.150 175.069 174.900 0.030 0.000 1.025 41 G CA -0.214 44.944 45.100 0.097 0.000 0.869 41 G HN 0.339 nan 8.290 nan 0.000 0.458 42 N N 1.489 120.248 118.700 0.098 0.000 2.725 42 N HA -0.145 4.595 4.740 -0.000 0.000 0.251 42 N C 0.375 175.873 175.510 -0.020 0.000 1.031 42 N CA 1.902 54.972 53.050 0.033 0.000 0.720 42 N CB -1.552 36.917 38.487 -0.029 0.000 0.930 42 N HN 1.328 nan 8.380 nan 0.000 0.543 43 T N -2.624 111.959 114.554 0.049 0.000 2.949 43 T HA 0.763 5.113 4.350 -0.000 0.000 0.287 43 T C 0.017 174.787 174.700 0.117 0.000 1.034 43 T CA -0.779 61.319 62.100 -0.004 0.000 1.018 43 T CB 2.032 70.898 68.868 -0.002 0.000 1.135 43 T HN 0.233 nan 8.240 nan 0.000 0.532 44 Y N -2.120 118.237 120.300 0.095 0.000 2.630 44 Y HA 0.760 5.310 4.550 0.000 0.000 0.337 44 Y C -3.047 172.849 175.900 -0.007 0.000 1.051 44 Y CA -3.692 54.451 58.100 0.071 0.000 1.121 44 Y CB 0.143 38.640 38.460 0.060 0.000 1.299 44 Y HN 0.351 nan 8.280 nan 0.000 0.498 45 P HA 0.214 nan 4.420 nan 0.000 0.268 45 P C -0.732 176.599 177.300 0.051 0.000 1.485 45 P CA 0.084 63.142 63.100 -0.070 0.000 1.102 45 P CB 0.016 31.540 31.700 -0.294 0.000 1.501 46 A N 5.799 128.625 122.820 0.010 0.000 2.544 46 A HA 0.241 4.561 4.320 -0.000 0.000 0.301 46 A C 0.347 177.892 177.584 -0.065 0.000 1.368 46 A CA -0.266 51.750 52.037 -0.034 0.000 1.045 46 A CB -0.687 18.080 19.000 -0.389 0.000 1.129 46 A HN 0.343 nan 8.150 nan 0.000 0.540 47 I N 2.303 122.864 120.570 -0.016 0.000 2.308 47 I HA 0.527 4.697 4.170 -0.000 0.000 0.293 47 I C 0.606 176.768 176.117 0.076 0.000 1.078 47 I CA 0.166 61.465 61.300 -0.001 0.000 1.292 47 I CB -0.491 37.503 38.000 -0.011 0.000 1.423 47 I HN 0.668 nan 8.210 nan 0.000 0.493 48 A N 7.261 130.148 122.820 0.111 0.000 2.586 48 A HA 0.742 5.062 4.320 -0.000 0.000 0.290 48 A C -0.340 177.480 177.584 0.393 0.000 1.086 48 A CA -0.870 51.272 52.037 0.175 0.000 0.665 48 A CB 1.708 20.573 19.000 -0.225 0.000 1.279 48 A HN 0.451 nan 8.150 nan 0.000 0.423 49 R N -0.114 120.549 120.500 0.271 0.000 2.577 49 R HA 0.443 4.783 4.340 -0.000 0.000 0.269 49 R C -2.605 173.608 176.300 -0.146 0.000 1.084 49 R CA -1.961 54.188 56.100 0.081 0.000 1.163 49 R CB -0.464 29.862 30.300 0.043 0.000 1.100 49 R HN 0.412 nan 8.270 nan 0.000 0.547 50 P HA -0.111 nan 4.420 nan 0.000 0.262 50 P C -0.308 176.861 177.300 -0.217 0.000 1.182 50 P CA 0.426 62.949 63.100 -0.961 0.000 0.761 50 P CB 0.188 31.145 31.700 -1.238 0.000 0.795 51 W N 0.320 121.631 121.300 0.019 0.000 4.551 51 W HA -0.153 4.507 4.660 -0.000 0.000 0.343 51 W C 0.700 177.344 176.519 0.207 0.000 1.269 51 W CA 0.912 58.351 57.345 0.156 0.000 0.799 51 W CB -2.420 27.154 29.460 0.189 0.000 2.352 51 W HN 0.477 nan 8.180 nan 0.000 1.462 52 G N 0.790 109.863 108.800 0.454 0.000 2.484 52 G HA2 0.212 4.172 3.960 -0.000 0.000 0.235 52 G HA3 0.212 4.172 3.960 -0.000 0.000 0.235 52 G C 0.820 175.900 174.900 0.301 0.000 1.282 52 G CA 0.244 45.585 45.100 0.401 0.000 0.857 52 G HN 0.267 nan 8.290 nan 0.000 0.571 53 M N 1.436 121.142 119.600 0.176 0.000 2.175 53 M HA -0.003 4.477 4.480 -0.000 0.000 0.264 53 M C 0.074 176.504 176.300 0.217 0.000 1.063 53 M CA 1.087 56.482 55.300 0.159 0.000 1.119 53 M CB 0.038 32.701 32.600 0.105 0.000 1.377 53 M HN 0.402 nan 8.290 nan 0.000 0.415 54 N N 0.171 118.979 118.700 0.180 0.000 2.354 54 N HA 0.295 5.035 4.740 -0.000 0.000 0.287 54 N C -1.628 173.964 175.510 0.136 0.000 1.016 54 N CA -0.321 52.724 53.050 -0.009 0.000 0.871 54 N CB 1.270 39.803 38.487 0.076 0.000 1.299 54 N HN -0.008 nan 8.380 nan 0.000 0.482 55 F N 0.575 120.336 119.950 -0.314 0.000 2.399 55 F HA 0.500 5.027 4.527 -0.000 0.000 0.328 55 F C 0.043 175.610 175.800 -0.389 0.000 1.084 55 F CA -1.248 56.657 58.000 -0.157 0.000 1.053 55 F CB 0.688 39.665 39.000 -0.039 0.000 1.209 55 F HN 0.291 nan 8.300 nan 0.000 0.502 56 W N 0.378 121.741 121.300 0.105 0.000 2.702 56 W HA 0.574 5.234 4.660 -0.000 0.000 0.331 56 W C -0.216 176.269 176.519 -0.057 0.000 1.049 56 W CA -0.551 56.783 57.345 -0.017 0.000 1.230 56 W CB 2.147 31.584 29.460 -0.039 0.000 1.408 56 W HN 0.398 nan 8.180 nan 0.000 0.492 57 T N 3.953 118.559 114.554 0.085 0.000 2.900 57 T HA 0.498 4.848 4.350 -0.000 0.000 0.303 57 T C -2.802 171.828 174.700 -0.116 0.000 1.142 57 T CA -2.268 59.781 62.100 -0.084 0.000 1.007 57 T CB 1.453 70.251 68.868 -0.117 0.000 1.156 57 T HN 0.079 nan 8.240 nan 0.000 0.490 58 P HA 0.136 nan 4.420 nan 0.000 0.268 58 P C -1.164 176.057 177.300 -0.132 0.000 1.205 58 P CA -0.095 62.816 63.100 -0.314 0.000 0.771 58 P CB 0.448 31.951 31.700 -0.329 0.000 0.858 59 Q N 1.652 121.313 119.800 -0.231 0.000 2.368 59 Q HA 0.258 4.598 4.340 -0.000 0.000 0.263 59 Q C 0.726 176.646 176.000 -0.133 0.000 1.009 59 Q CA -0.368 55.366 55.803 -0.115 0.000 0.818 59 Q CB 0.887 29.559 28.738 -0.110 0.000 1.239 59 Q HN 0.519 nan 8.270 nan 0.000 0.464 60 T N -0.167 114.342 114.554 -0.075 0.000 3.033 60 T HA 0.218 4.568 4.350 -0.000 0.000 0.248 60 T C 0.955 175.598 174.700 -0.095 0.000 1.040 60 T CA 0.426 62.449 62.100 -0.128 0.000 1.133 60 T CB 0.075 68.828 68.868 -0.191 0.000 0.895 60 T HN 0.517 nan 8.240 nan 0.000 0.465 61 G N 1.535 110.308 108.800 -0.044 0.000 2.594 61 G HA2 0.413 4.373 3.960 -0.000 0.000 0.243 61 G HA3 0.413 4.373 3.960 -0.000 0.000 0.243 61 G C -0.523 174.349 174.900 -0.047 0.000 1.229 61 G CA -0.758 44.328 45.100 -0.022 0.000 0.843 61 G HN 0.473 nan 8.290 nan 0.000 0.578 62 K N 0.458 120.828 120.400 -0.050 0.000 2.219 62 K HA 0.111 4.431 4.320 -0.000 0.000 0.258 62 K C 0.847 177.402 176.600 -0.075 0.000 1.008 62 K CA -0.352 55.889 56.287 -0.076 0.000 0.928 62 K CB 0.891 33.348 32.500 -0.072 0.000 0.983 62 K HN 0.549 nan 8.250 nan 0.000 0.484 63 M N 1.634 121.142 119.600 -0.154 0.000 2.290 63 M HA -0.097 4.383 4.480 -0.000 0.000 0.356 63 M C 0.660 176.917 176.300 -0.071 0.000 1.448 63 M CA 1.940 57.111 55.300 -0.215 0.000 0.993 63 M CB -0.346 31.921 32.600 -0.555 0.000 1.934 63 M HN 0.987 nan 8.290 nan 0.000 0.461 64 G N 3.218 112.042 108.800 0.041 0.000 2.232 64 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.226 64 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.226 64 G C -0.215 174.718 174.900 0.056 0.000 0.996 64 G CA 0.130 45.265 45.100 0.060 0.000 0.626 64 G HN 0.779 nan 8.290 nan 0.000 0.509 65 D N 1.353 121.785 120.400 0.052 0.000 2.317 65 D HA 0.470 5.110 4.640 -0.000 0.000 0.252 65 D C 1.761 178.114 176.300 0.088 0.000 1.174 65 D CA 0.667 54.723 54.000 0.094 0.000 0.866 65 D CB 0.725 41.581 40.800 0.093 0.000 1.127 65 D HN 0.239 nan 8.370 nan 0.000 0.467 66 G N 4.013 112.857 108.800 0.074 0.000 2.503 66 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.221 66 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.221 66 G C 0.725 175.453 174.900 -0.287 0.000 1.131 66 G CA 0.109 45.096 45.100 -0.189 0.000 0.756 66 G HN 0.606 nan 8.290 nan 0.000 0.572 67 W N 2.188 123.431 121.300 -0.094 0.000 2.072 67 W HA 0.243 4.903 4.660 -0.000 0.000 0.413 67 W C 1.457 177.963 176.519 -0.021 0.000 0.865 67 W CA -0.295 57.020 57.345 -0.051 0.000 1.579 67 W CB -0.072 29.351 29.460 -0.062 0.000 1.720 67 W HN 0.555 nan 8.180 nan 0.000 0.301 68 Q N 1.275 121.122 119.800 0.078 0.000 2.331 68 Q HA -0.110 4.230 4.340 -0.000 0.000 0.203 68 Q C -0.033 176.038 176.000 0.119 0.000 0.944 68 Q CA 0.993 56.819 55.803 0.038 0.000 0.892 68 Q CB 0.236 28.915 28.738 -0.098 0.000 0.983 68 Q HN 0.392 nan 8.270 nan 0.000 0.482 69 Y N 1.408 121.748 120.300 0.066 0.000 2.386 69 Y HA 0.381 4.931 4.550 -0.000 0.000 0.334 69 Y C -1.397 174.626 175.900 0.205 0.000 1.002 69 Y CA -0.642 57.525 58.100 0.113 0.000 1.068 69 Y CB 2.165 40.697 38.460 0.120 0.000 1.203 69 Y HN 0.079 nan 8.280 nan 0.000 0.443 70 T N 2.144 116.594 114.554 -0.173 0.000 2.848 70 T HA 0.168 4.518 4.350 -0.000 0.000 0.285 70 T C 0.188 174.841 174.700 -0.078 0.000 0.995 70 T CA -0.580 61.540 62.100 0.035 0.000 0.970 70 T CB 1.059 69.982 68.868 0.091 0.000 0.976 70 T HN 0.762 nan 8.240 nan 0.000 0.441 71 Y N 3.349 123.693 120.300 0.073 0.000 2.298 71 Y HA -0.160 4.390 4.550 0.000 0.000 0.287 71 Y C 2.406 178.411 175.900 0.177 0.000 1.164 71 Y CA 2.325 60.514 58.100 0.147 0.000 1.229 71 Y CB -0.152 38.364 38.460 0.094 0.000 0.977 71 Y HN 0.862 nan 8.280 nan 0.000 0.538 72 T N -1.745 112.870 114.554 0.101 0.000 3.107 72 T HA 0.453 4.803 4.350 -0.000 0.000 0.249 72 T C 0.675 175.301 174.700 -0.123 0.000 1.096 72 T CA 0.135 62.244 62.100 0.015 0.000 1.012 72 T CB -0.397 68.505 68.868 0.056 0.000 0.977 72 T HN 0.339 nan 8.240 nan 0.000 0.527 73 A N 1.778 124.495 122.820 -0.171 0.000 2.407 73 A HA 0.474 4.794 4.320 -0.000 0.000 0.248 73 A C 1.106 178.470 177.584 -0.365 0.000 1.082 73 A CA -0.650 51.249 52.037 -0.230 0.000 0.785 73 A CB 0.272 19.153 19.000 -0.200 0.000 1.020 73 A HN 0.242 nan 8.150 nan 0.000 0.489 74 N N 0.295 118.701 118.700 -0.491 0.000 2.409 74 N HA 0.049 4.789 4.740 -0.000 0.000 0.174 74 N C -0.193 174.927 175.510 -0.649 0.000 1.037 74 N CA 0.915 53.449 53.050 -0.859 0.000 0.898 74 N CB 0.213 37.814 38.487 -1.476 0.000 1.010 74 N HN 0.626 nan 8.380 nan 0.000 0.445 75 K N 0.454 120.656 120.400 -0.330 0.000 2.375 75 K HA 0.502 4.822 4.320 -0.000 0.000 0.249 75 K C -0.710 175.852 176.600 -0.063 0.000 0.942 75 K CA -0.542 55.651 56.287 -0.157 0.000 0.806 75 K CB 2.652 34.976 32.500 -0.293 0.000 1.227 75 K HN -0.155 nan 8.250 nan 0.000 0.430 76 I N 2.939 123.435 120.570 -0.124 0.000 2.377 76 I HA 0.269 4.439 4.170 -0.000 0.000 0.293 76 I C 1.258 177.239 176.117 -0.226 0.000 0.987 76 I CA -0.385 60.739 61.300 -0.293 0.000 1.185 76 I CB 1.305 38.988 38.000 -0.528 0.000 1.341 76 I HN 0.665 nan 8.210 nan 0.000 0.455 77 R N 4.408 124.769 120.500 -0.232 0.000 2.476 77 R HA 0.512 4.852 4.340 -0.000 0.000 0.276 77 R C 0.144 176.334 176.300 -0.183 0.000 0.941 77 R CA -0.126 55.870 56.100 -0.173 0.000 1.088 77 R CB 0.949 31.157 30.300 -0.152 0.000 1.216 77 R HN 0.733 nan 8.270 nan 0.000 0.533 78 G N 0.534 109.159 108.800 -0.291 0.000 2.338 78 G HA2 0.369 4.329 3.960 -0.000 0.000 0.295 78 G HA3 0.369 4.329 3.960 -0.000 0.000 0.295 78 G C -1.944 172.691 174.900 -0.442 0.000 1.461 78 G CA -0.932 44.036 45.100 -0.221 0.000 0.817 78 G HN 0.037 nan 8.290 nan 0.000 0.556 79 F N 1.077 121.086 119.950 0.098 0.000 2.375 79 F HA 0.606 5.133 4.527 -0.000 0.000 0.361 79 F C 0.535 176.482 175.800 0.244 0.000 1.117 79 F CA -0.682 57.447 58.000 0.215 0.000 1.037 79 F CB 2.328 41.583 39.000 0.425 0.000 1.192 79 F HN 0.371 nan 8.300 nan 0.000 0.452 80 K N 3.104 123.614 120.400 0.184 0.000 2.164 80 K HA 0.315 4.635 4.320 -0.000 0.000 0.258 80 K C -0.651 175.597 176.600 -0.586 0.000 0.951 80 K CA -0.687 55.497 56.287 -0.171 0.000 0.844 80 K CB 1.429 33.808 32.500 -0.201 0.000 1.099 80 K HN 0.676 nan 8.250 nan 0.000 0.435 81 Q N 2.591 121.574 119.800 -1.361 0.000 2.295 81 Q HA 0.120 4.460 4.340 -0.000 0.000 0.259 81 Q C -1.182 174.189 176.000 -1.048 0.000 0.976 81 Q CA 0.141 54.850 55.803 -1.822 0.000 0.923 81 Q CB 1.356 28.831 28.738 -2.105 0.000 1.185 81 Q HN 0.662 nan 8.270 nan 0.000 0.410 82 T N 2.222 116.237 114.554 -0.898 0.000 2.906 82 T HA 0.414 4.763 4.350 -0.000 0.000 0.295 82 T C -0.721 173.494 174.700 -0.808 0.000 1.061 82 T CA -0.430 61.274 62.100 -0.660 0.000 1.000 82 T CB 0.980 69.546 68.868 -0.503 0.000 1.103 82 T HN 0.786 nan 8.240 nan 0.000 0.486 83 H N 0.480 119.325 119.070 -0.376 0.000 3.233 83 H HA 0.372 4.928 4.556 -0.000 0.000 0.263 83 H C 0.599 175.895 175.328 -0.054 0.000 1.168 83 H CA -0.370 55.453 56.048 -0.375 0.000 1.159 83 H CB 0.570 29.858 29.762 -0.790 0.000 1.593 83 H HN 0.438 nan 8.280 nan 0.000 0.580 84 Q N 3.706 123.558 119.800 0.088 0.000 2.247 84 Q HA -0.004 4.336 4.340 -0.000 0.000 0.288 84 Q C -1.553 174.705 176.000 0.429 0.000 1.079 84 Q CA -1.218 54.709 55.803 0.207 0.000 0.932 84 Q CB 0.971 29.751 28.738 0.070 0.000 1.133 84 Q HN 0.243 nan 8.270 nan 0.000 0.377 85 P HA 0.054 nan 4.420 nan 0.000 0.239 85 P C -0.342 176.957 177.300 -0.001 0.000 1.188 85 P CA 0.305 63.424 63.100 0.032 0.000 0.794 85 P CB 0.714 32.499 31.700 0.141 0.000 0.937 86 S N -0.491 115.235 115.700 0.043 0.000 2.558 86 S HA 0.357 4.827 4.470 -0.000 0.000 0.277 86 S C -2.454 172.014 174.600 -0.219 0.000 1.143 86 S CA -1.162 57.014 58.200 -0.040 0.000 0.865 86 S CB 1.369 64.617 63.200 0.080 0.000 1.102 86 S HN -0.262 nan 8.310 nan 0.000 0.454 87 P HA -0.044 nan 4.420 nan 0.000 0.218 87 P C 0.920 177.766 177.300 -0.756 0.000 1.148 87 P CA 1.250 63.758 63.100 -0.987 0.000 0.822 87 P CB -0.141 30.277 31.700 -2.137 0.000 0.784 88 W N -0.154 120.985 121.300 -0.267 0.000 2.388 88 W HA -0.043 4.617 4.660 -0.000 0.000 0.294 88 W C 2.356 178.781 176.519 -0.156 0.000 1.212 88 W CA -0.018 57.247 57.345 -0.133 0.000 1.271 88 W CB -0.891 28.517 29.460 -0.087 0.000 1.126 88 W HN -0.169 nan 8.180 nan 0.000 0.535 89 I N -0.387 120.167 120.570 -0.025 0.000 2.584 89 I HA -0.096 4.074 4.170 -0.000 0.000 0.255 89 I C 1.174 177.243 176.117 -0.079 0.000 1.145 89 I CA 1.050 62.258 61.300 -0.152 0.000 1.462 89 I CB -1.436 36.373 38.000 -0.319 0.000 1.102 89 I HN 0.158 nan 8.210 nan 0.000 0.433 90 N N 0.962 119.621 118.700 -0.068 0.000 6.891 90 N HA -0.195 4.545 4.740 -0.000 0.000 0.420 90 N C -0.432 175.101 175.510 0.038 0.000 0.939 90 N CA 0.849 53.879 53.050 -0.033 0.000 1.300 90 N CB -0.362 38.119 38.487 -0.010 0.000 0.824 90 N HN 0.165 nan 8.380 nan 0.000 0.284 91 D N -0.767 119.664 120.400 0.051 0.000 2.442 91 D HA 0.738 5.378 4.640 -0.000 0.000 0.254 91 D C -0.694 175.714 176.300 0.180 0.000 1.069 91 D CA 0.121 54.162 54.000 0.068 0.000 1.017 91 D CB 0.852 41.633 40.800 -0.033 0.000 1.172 91 D HN 0.435 nan 8.370 nan 0.000 0.561 92 Y N -3.188 117.174 120.300 0.102 0.000 2.656 92 Y HA 0.469 5.019 4.550 -0.000 0.000 0.334 92 Y C 0.223 176.341 175.900 0.364 0.000 1.179 92 Y CA -1.035 57.150 58.100 0.141 0.000 1.050 92 Y CB 0.770 39.198 38.460 -0.053 0.000 1.308 92 Y HN 0.512 nan 8.280 nan 0.000 0.456 93 G N 2.032 111.202 108.800 0.617 0.000 2.350 93 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.298 93 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.298 93 G C -0.760 174.269 174.900 0.214 0.000 1.037 93 G CA 0.442 45.846 45.100 0.507 0.000 1.074 93 G HN 0.987 nan 8.290 nan 0.000 0.511 94 Q N -0.797 119.009 119.800 0.009 0.000 2.330 94 Q HA 0.823 5.163 4.340 -0.000 0.000 0.269 94 Q C -0.319 175.321 176.000 -0.601 0.000 1.022 94 Q CA -1.243 54.315 55.803 -0.408 0.000 0.796 94 Q CB 1.950 30.360 28.738 -0.547 0.000 1.271 94 Q HN 0.953 nan 8.270 nan 0.000 0.450 95 F N -0.808 118.682 119.950 -0.767 0.000 2.685 95 F HA 0.855 5.382 4.527 -0.000 0.000 0.315 95 F C -1.184 174.409 175.800 -0.344 0.000 1.126 95 F CA -0.876 56.748 58.000 -0.627 0.000 0.950 95 F CB 1.450 40.176 39.000 -0.457 0.000 1.360 95 F HN 0.683 nan 8.300 nan 0.000 0.469 96 S N 1.256 116.986 115.700 0.050 0.000 2.618 96 S HA 0.838 5.308 4.470 -0.000 0.000 0.277 96 S C -1.611 173.102 174.600 0.188 0.000 1.138 96 S CA -0.752 57.494 58.200 0.076 0.000 0.844 96 S CB 2.021 65.342 63.200 0.202 0.000 1.127 96 S HN 1.164 nan 8.310 nan 0.000 0.474 97 I N 1.047 121.715 120.570 0.162 0.000 2.769 97 I HA 0.766 4.936 4.170 -0.000 0.000 0.298 97 I C -1.975 174.228 176.117 0.143 0.000 1.128 97 I CA -1.182 60.185 61.300 0.112 0.000 1.031 97 I CB 2.148 40.126 38.000 -0.036 0.000 1.235 97 I HN 0.902 nan 8.210 nan 0.000 0.423 98 M N 10.352 129.981 119.600 0.049 0.000 2.234 98 M HA 0.538 5.018 4.480 -0.000 0.000 0.267 98 M C -2.924 173.280 176.300 -0.159 0.000 1.022 98 M CA -1.731 53.590 55.300 0.034 0.000 0.993 98 M CB 2.234 34.826 32.600 -0.014 0.000 1.836 98 M HN 0.128 nan 8.290 nan 0.000 0.479 99 P HA 0.564 nan 4.420 nan 0.000 0.278 99 P C -1.037 176.046 177.300 -0.362 0.000 1.238 99 P CA -0.258 62.567 63.100 -0.458 0.000 0.794 99 P CB 0.816 31.987 31.700 -0.882 0.000 0.955 100 I N -1.221 119.174 120.570 -0.292 0.000 3.352 100 I HA 0.750 4.920 4.170 -0.000 0.000 0.316 100 I C -1.593 174.449 176.117 -0.125 0.000 1.214 100 I CA -1.402 59.521 61.300 -0.629 0.000 0.934 100 I CB 2.192 39.866 38.000 -0.544 0.000 1.310 100 I HN 0.054 nan 8.210 nan 0.000 0.475 101 V N 0.914 120.783 119.914 -0.075 0.000 2.971 101 V HA 0.834 4.954 4.120 -0.000 0.000 0.309 101 V C 0.480 176.701 176.094 0.212 0.000 1.130 101 V CA 0.694 63.096 62.300 0.170 0.000 0.964 101 V CB 1.278 33.235 31.823 0.223 0.000 1.029 101 V HN 1.458 nan 8.190 nan 0.000 0.427 102 G N 3.691 112.632 108.800 0.236 0.000 2.936 102 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.237 102 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.237 102 G C -0.456 174.526 174.900 0.136 0.000 1.403 102 G CA -0.207 45.002 45.100 0.182 0.000 1.011 102 G HN 0.665 nan 8.290 nan 0.000 0.568 103 Q N 2.642 122.449 119.800 0.011 0.000 2.327 103 Q HA 0.431 4.771 4.340 -0.000 0.000 0.254 103 Q C -2.154 173.661 176.000 -0.308 0.000 0.952 103 Q CA -1.487 54.237 55.803 -0.132 0.000 0.884 103 Q CB 1.127 29.800 28.738 -0.108 0.000 1.224 103 Q HN 0.485 nan 8.270 nan 0.000 0.422 104 P HA 0.063 nan 4.420 nan 0.000 0.277 104 P C -0.632 176.413 177.300 -0.425 0.000 1.354 104 P CA -0.127 62.384 63.100 -0.982 0.000 0.891 104 P CB 0.270 31.143 31.700 -1.378 0.000 1.058 105 V N 1.703 121.452 119.914 -0.276 0.000 2.604 105 V HA 0.455 4.575 4.120 -0.000 0.000 0.305 105 V C 0.142 176.201 176.094 -0.059 0.000 1.043 105 V CA -0.682 61.544 62.300 -0.124 0.000 0.888 105 V CB 1.733 33.502 31.823 -0.089 0.000 0.995 105 V HN 0.303 nan 8.190 nan 0.000 0.429 106 F N 2.620 122.486 119.950 -0.141 0.000 2.505 106 F HA 0.301 4.828 4.527 -0.000 0.000 0.289 106 F C 1.302 177.037 175.800 -0.108 0.000 1.101 106 F CA 0.343 58.267 58.000 -0.126 0.000 1.446 106 F CB 0.232 39.147 39.000 -0.142 0.000 1.123 106 F HN 0.825 nan 8.300 nan 0.000 0.564 107 D N 2.243 122.611 120.400 -0.053 0.000 2.629 107 D HA -0.175 4.465 4.640 -0.000 0.000 0.228 107 D C 1.007 177.177 176.300 -0.217 0.000 1.127 107 D CA 0.792 54.726 54.000 -0.109 0.000 0.855 107 D CB 0.853 41.629 40.800 -0.042 0.000 1.180 107 D HN 0.701 nan 8.370 nan 0.000 0.484 108 E N 2.263 122.327 120.200 -0.227 0.000 2.427 108 E HA -0.113 4.237 4.350 -0.000 0.000 0.196 108 E C 0.833 177.345 176.600 -0.148 0.000 1.028 108 E CA 0.726 56.990 56.400 -0.227 0.000 0.864 108 E CB 0.094 29.660 29.700 -0.223 0.000 0.813 108 E HN 0.581 nan 8.360 nan 0.000 0.514 109 E N 1.344 121.478 120.200 -0.110 0.000 2.132 109 E HA 0.015 4.365 4.350 -0.000 0.000 0.193 109 E C 1.845 178.409 176.600 -0.061 0.000 0.951 109 E CA 0.225 56.576 56.400 -0.083 0.000 0.843 109 E CB 0.073 29.733 29.700 -0.067 0.000 0.807 109 E HN 0.158 nan 8.360 nan 0.000 0.467 110 K N 1.292 121.660 120.400 -0.053 0.000 2.209 110 K HA -0.128 4.192 4.320 -0.000 0.000 0.204 110 K C 2.248 178.845 176.600 -0.005 0.000 1.048 110 K CA 1.153 57.423 56.287 -0.028 0.000 0.940 110 K CB -0.124 32.357 32.500 -0.031 0.000 0.729 110 K HN 0.091 nan 8.250 nan 0.000 0.451 111 R N 0.626 121.107 120.500 -0.031 0.000 2.275 111 R HA 0.186 4.526 4.340 -0.000 0.000 0.199 111 R C 0.611 176.978 176.300 0.111 0.000 0.989 111 R CA 0.208 56.322 56.100 0.022 0.000 1.016 111 R CB -0.013 30.236 30.300 -0.086 0.000 0.918 111 R HN -0.079 nan 8.270 nan 0.000 0.473 112 A N 1.383 124.211 122.820 0.013 0.000 2.406 112 A HA 0.324 4.644 4.320 -0.000 0.000 0.243 112 A C -0.261 177.311 177.584 -0.020 0.000 1.082 112 A CA -0.029 51.997 52.037 -0.018 0.000 0.786 112 A CB 0.818 19.769 19.000 -0.082 0.000 1.029 112 A HN 0.348 nan 8.150 nan 0.000 0.495 113 S N 0.016 115.695 115.700 -0.035 0.000 2.536 113 S HA 0.513 4.983 4.470 -0.000 0.000 0.287 113 S C -0.956 173.681 174.600 0.061 0.000 1.101 113 S CA -0.540 57.630 58.200 -0.051 0.000 0.950 113 S CB 0.340 63.484 63.200 -0.093 0.000 1.056 113 S HN 0.578 nan 8.310 nan 0.000 0.481 114 W N 4.202 125.480 121.300 -0.036 0.000 2.187 114 W HA 0.391 5.051 4.660 -0.000 0.000 0.348 114 W C 0.164 176.771 176.519 0.147 0.000 1.282 114 W CA 0.577 57.937 57.345 0.025 0.000 1.271 114 W CB 0.408 29.844 29.460 -0.040 0.000 1.170 114 W HN 0.591 nan 8.180 nan 0.000 0.583 115 F N 0.537 120.593 119.950 0.177 0.000 2.779 115 F HA 0.864 5.391 4.527 -0.000 0.000 0.316 115 F C -1.232 174.621 175.800 0.088 0.000 1.164 115 F CA -1.966 56.106 58.000 0.120 0.000 0.924 115 F CB 0.527 39.547 39.000 0.033 0.000 1.348 115 F HN 0.436 nan 8.300 nan 0.000 0.467 116 A N 0.050 122.766 122.820 -0.174 0.000 2.498 116 A HA 0.562 4.881 4.320 -0.000 0.000 0.298 116 A C -0.088 177.371 177.584 -0.209 0.000 1.075 116 A CA -0.703 51.078 52.037 -0.427 0.000 0.714 116 A CB 0.650 19.591 19.000 -0.098 0.000 1.299 116 A HN 0.980 nan 8.150 nan 0.000 0.407 117 H N 0.856 119.864 119.070 -0.103 0.000 2.421 117 H HA -0.064 4.492 4.556 0.000 0.000 0.298 117 H C 0.917 176.325 175.328 0.134 0.000 1.087 117 H CA 1.812 57.919 56.048 0.097 0.000 1.330 117 H CB 0.192 29.991 29.762 0.062 0.000 1.388 117 H HN 0.655 nan 8.280 nan 0.000 0.526 118 K N 0.277 120.788 120.400 0.185 0.000 2.504 118 K HA 0.001 4.321 4.320 -0.000 0.000 0.195 118 K C 1.587 178.258 176.600 0.117 0.000 1.036 118 K CA 0.596 56.965 56.287 0.137 0.000 0.984 118 K CB 0.320 32.878 32.500 0.096 0.000 0.788 118 K HN 0.183 nan 8.250 nan 0.000 0.488 119 G N 1.020 109.911 108.800 0.151 0.000 3.575 119 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.273 119 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.273 119 G C -0.446 174.563 174.900 0.182 0.000 1.053 119 G CA -0.209 44.992 45.100 0.167 0.000 0.803 119 G HN 0.150 nan 8.290 nan 0.000 0.528 120 E N 0.303 120.601 120.200 0.164 0.000 2.248 120 E HA 0.552 4.902 4.350 -0.000 0.000 0.267 120 E C -1.686 174.914 176.600 0.000 0.000 0.877 120 E CA -0.572 55.877 56.400 0.081 0.000 0.759 120 E CB 2.735 32.606 29.700 0.286 0.000 1.182 120 E HN -0.118 nan 8.360 nan 0.000 0.418 121 V N 2.713 122.510 119.914 -0.195 0.000 2.447 121 V HA 0.603 4.723 4.120 -0.000 0.000 0.292 121 V C -0.643 175.303 176.094 -0.248 0.000 1.021 121 V CA -0.581 61.642 62.300 -0.129 0.000 0.850 121 V CB 1.252 33.052 31.823 -0.038 0.000 1.005 121 V HN 0.741 nan 8.190 nan 0.000 0.426 122 A N 3.817 126.592 122.820 -0.074 0.000 2.287 122 A HA 0.904 5.224 4.320 -0.000 0.000 0.317 122 A C 0.107 177.623 177.584 -0.113 0.000 1.220 122 A CA -0.246 51.801 52.037 0.017 0.000 0.835 122 A CB 1.214 20.333 19.000 0.199 0.000 1.180 122 A HN 0.918 nan 8.150 nan 0.000 0.500 123 T N -0.144 114.270 114.554 -0.235 0.000 2.901 123 T HA 0.676 5.026 4.350 -0.000 0.000 0.293 123 T C -2.485 171.904 174.700 -0.519 0.000 1.084 123 T CA -1.807 60.017 62.100 -0.459 0.000 1.008 123 T CB 1.755 70.148 68.868 -0.793 0.000 1.170 123 T HN 0.111 nan 8.240 nan 0.000 0.509 124 P HA -0.041 nan 4.420 nan 0.000 0.216 124 P C 0.895 178.077 177.300 -0.196 0.000 1.150 124 P CA 1.183 63.912 63.100 -0.619 0.000 0.837 124 P CB -0.277 30.626 31.700 -1.327 0.000 0.786 125 Y N -4.273 115.998 120.300 -0.048 0.000 2.449 125 Y HA 0.428 4.978 4.550 -0.000 0.000 0.254 125 Y C 0.288 176.282 175.900 0.158 0.000 1.140 125 Y CA -1.009 57.170 58.100 0.132 0.000 1.272 125 Y CB -0.332 38.233 38.460 0.176 0.000 1.114 125 Y HN -0.134 nan 8.280 nan 0.000 0.525 126 Y N 0.427 120.445 120.300 -0.470 0.000 2.480 126 Y HA 0.502 5.052 4.550 0.000 0.000 0.329 126 Y C -2.379 173.406 175.900 -0.191 0.000 1.127 126 Y CA -2.393 55.539 58.100 -0.280 0.000 1.037 126 Y CB 1.282 39.576 38.460 -0.277 0.000 1.320 126 Y HN 0.031 nan 8.280 nan 0.000 0.446 127 Y N 5.918 125.704 120.300 -0.857 0.000 2.421 127 Y HA 0.616 5.166 4.550 -0.000 0.000 0.339 127 Y C -1.594 173.859 175.900 -0.745 0.000 0.996 127 Y CA -0.852 56.865 58.100 -0.639 0.000 1.046 127 Y CB 1.557 39.834 38.460 -0.304 0.000 1.226 127 Y HN 0.708 nan 8.280 nan 0.000 0.445 128 K N 5.179 124.909 120.400 -1.117 0.000 2.464 128 K HA 0.825 5.145 4.320 -0.000 0.000 0.253 128 K C -2.401 173.850 176.600 -0.580 0.000 0.933 128 K CA -0.867 55.016 56.287 -0.674 0.000 0.801 128 K CB 2.373 34.634 32.500 -0.398 0.000 1.271 128 K HN 0.560 nan 8.250 nan 0.000 0.430 129 V N 3.905 123.706 119.914 -0.189 0.000 3.077 129 V HA 0.387 4.507 4.120 -0.000 0.000 0.299 129 V C -2.158 174.044 176.094 0.180 0.000 1.276 129 V CA -0.725 61.584 62.300 0.014 0.000 0.993 129 V CB 1.845 33.732 31.823 0.107 0.000 1.076 129 V HN 0.805 nan 8.190 nan 0.000 0.434 130 Y N 6.108 126.476 120.300 0.113 0.000 2.367 130 Y HA 0.650 5.200 4.550 -0.000 0.000 0.342 130 Y C -0.349 175.662 175.900 0.185 0.000 0.979 130 Y CA -0.662 57.515 58.100 0.129 0.000 1.161 130 Y CB 1.201 39.722 38.460 0.103 0.000 1.155 130 Y HN 0.607 nan 8.280 nan 0.000 0.503 131 L N 7.632 128.665 121.223 -0.317 0.000 2.295 131 L HA 0.340 4.680 4.340 -0.000 0.000 0.288 131 L C 1.163 177.738 176.870 -0.491 0.000 1.079 131 L CA -0.123 54.596 54.840 -0.201 0.000 0.830 131 L CB 0.884 42.947 42.059 0.007 0.000 1.200 131 L HN 0.912 nan 8.230 nan 0.000 0.438 132 A N 2.603 125.275 122.820 -0.245 0.000 2.014 132 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 132 A C 1.868 179.378 177.584 -0.123 0.000 1.163 132 A CA 1.010 52.948 52.037 -0.165 0.000 0.652 132 A CB -0.122 18.956 19.000 0.129 0.000 0.808 132 A HN 0.814 nan 8.150 nan 0.000 0.449 133 E N -1.236 118.861 120.200 -0.171 0.000 2.478 133 E HA -0.034 4.316 4.350 -0.000 0.000 0.194 133 E C 0.770 177.170 176.600 -0.333 0.000 1.045 133 E CA 0.349 56.603 56.400 -0.243 0.000 0.868 133 E CB 0.045 29.582 29.700 -0.272 0.000 0.885 133 E HN 0.700 nan 8.360 nan 0.000 0.505 134 H N -0.526 118.514 119.070 -0.050 0.000 3.046 134 H HA 0.046 4.602 4.556 -0.000 0.000 0.262 134 H C 0.084 175.391 175.328 -0.036 0.000 1.044 134 H CA 0.318 56.352 56.048 -0.025 0.000 1.209 134 H CB 0.660 30.404 29.762 -0.030 0.000 1.507 134 H HN 0.054 nan 8.280 nan 0.000 0.507 135 D N 0.864 121.234 120.400 -0.050 0.000 2.716 135 D HA -0.172 4.468 4.640 -0.000 0.000 0.239 135 D C -0.687 175.634 176.300 0.035 0.000 1.125 135 D CA 0.305 54.310 54.000 0.008 0.000 0.681 135 D CB -1.636 39.263 40.800 0.164 0.000 1.070 135 D HN 0.400 nan 8.370 nan 0.000 0.432 136 I N -0.238 120.253 120.570 -0.131 0.000 2.509 136 I HA 0.394 4.564 4.170 -0.000 0.000 0.293 136 I C 0.264 176.365 176.117 -0.026 0.000 1.020 136 I CA -1.269 59.980 61.300 -0.084 0.000 1.088 136 I CB 2.181 40.062 38.000 -0.198 0.000 1.267 136 I HN -0.224 nan 8.210 nan 0.000 0.430 137 V N 4.490 124.456 119.914 0.086 0.000 2.394 137 V HA 0.378 4.498 4.120 -0.000 0.000 0.282 137 V C 0.044 176.187 176.094 0.082 0.000 1.031 137 V CA -0.255 62.132 62.300 0.145 0.000 0.881 137 V CB 1.624 33.553 31.823 0.176 0.000 0.982 137 V HN 0.735 nan 8.190 nan 0.000 0.451 138 T N 5.423 120.018 114.554 0.068 0.000 2.797 138 T HA 0.554 4.904 4.350 -0.000 0.000 0.279 138 T C -0.547 174.058 174.700 -0.159 0.000 0.991 138 T CA -0.584 61.505 62.100 -0.018 0.000 0.979 138 T CB 1.075 69.835 68.868 -0.181 0.000 0.943 138 T HN 0.769 nan 8.240 nan 0.000 0.444 139 E N 3.155 123.204 120.200 -0.251 0.000 2.266 139 E HA 0.659 5.009 4.350 -0.000 0.000 0.268 139 E C -0.586 175.714 176.600 -0.501 0.000 0.879 139 E CA -0.941 55.247 56.400 -0.353 0.000 0.762 139 E CB 2.357 31.933 29.700 -0.208 0.000 1.199 139 E HN 0.619 nan 8.360 nan 0.000 0.422 140 M N -0.305 118.946 119.600 -0.582 0.000 2.446 140 M HA 0.626 5.106 4.480 -0.000 0.000 0.294 140 M C -1.122 174.903 176.300 -0.459 0.000 1.158 140 M CA -0.775 54.049 55.300 -0.794 0.000 0.899 140 M CB 2.229 34.039 32.600 -1.317 0.000 1.687 140 M HN 0.419 nan 8.290 nan 0.000 0.455 141 T N 0.453 114.782 114.554 -0.375 0.000 2.881 141 T HA 0.800 5.150 4.350 -0.000 0.000 0.291 141 T C -3.140 171.459 174.700 -0.169 0.000 0.990 141 T CA -1.327 60.696 62.100 -0.128 0.000 0.976 141 T CB 1.925 70.808 68.868 0.026 0.000 0.970 141 T HN 0.618 nan 8.240 nan 0.000 0.438 142 P HA 0.554 nan 4.420 nan 0.000 0.289 142 P C -0.279 177.073 177.300 0.086 0.000 1.302 142 P CA -0.421 62.669 63.100 -0.016 0.000 0.923 142 P CB 2.090 33.848 31.700 0.097 0.000 1.238 143 T N -3.269 111.347 114.554 0.104 0.000 2.819 143 T HA 0.334 4.684 4.350 -0.000 0.000 0.271 143 T C 1.199 175.996 174.700 0.161 0.000 0.986 143 T CA -0.399 61.771 62.100 0.117 0.000 0.989 143 T CB 0.338 69.259 68.868 0.089 0.000 1.396 143 T HN 0.312 nan 8.240 nan 0.000 0.597 144 E N 0.089 120.371 120.200 0.136 0.000 2.110 144 E HA -0.067 4.283 4.350 -0.000 0.000 0.193 144 E C 2.077 178.781 176.600 0.173 0.000 0.988 144 E CA 1.013 57.502 56.400 0.148 0.000 0.804 144 E CB 0.003 29.760 29.700 0.095 0.000 0.745 144 E HN 0.457 nan 8.360 nan 0.000 0.458 145 R N -1.160 119.436 120.500 0.160 0.000 2.469 145 R HA 0.314 4.654 4.340 -0.000 0.000 0.250 145 R C 0.017 176.460 176.300 0.240 0.000 0.909 145 R CA 0.058 56.265 56.100 0.180 0.000 1.050 145 R CB 1.422 31.793 30.300 0.117 0.000 1.256 145 R HN -0.040 nan 8.270 nan 0.000 0.550 146 A N 0.252 123.200 122.820 0.213 0.000 2.437 146 A HA 0.821 5.141 4.320 -0.000 0.000 0.288 146 A C -1.371 176.278 177.584 0.108 0.000 1.201 146 A CA -0.623 51.532 52.037 0.196 0.000 0.795 146 A CB 2.042 21.118 19.000 0.126 0.000 1.359 146 A HN -0.059 nan 8.150 nan 0.000 0.435 147 V N -0.450 119.441 119.914 -0.038 0.000 3.077 147 V HA 0.621 4.741 4.120 -0.000 0.000 0.299 147 V C -2.140 173.781 176.094 -0.287 0.000 1.276 147 V CA -0.515 61.599 62.300 -0.311 0.000 0.993 147 V CB 1.998 33.268 31.823 -0.922 0.000 1.076 147 V HN 1.170 nan 8.190 nan 0.000 0.434 148 L N 5.348 126.362 121.223 -0.348 0.000 2.333 148 L HA 0.737 5.077 4.340 -0.000 0.000 0.280 148 L C -1.298 175.282 176.870 -0.485 0.000 1.004 148 L CA 0.138 54.816 54.840 -0.272 0.000 0.820 148 L CB 1.375 43.336 42.059 -0.163 0.000 1.247 148 L HN 0.570 nan 8.230 nan 0.000 0.416 149 F N 4.160 123.852 119.950 -0.429 0.000 2.450 149 F HA 0.624 5.151 4.527 0.000 0.000 0.332 149 F C 0.258 175.672 175.800 -0.644 0.000 1.093 149 F CA -0.372 57.243 58.000 -0.641 0.000 1.003 149 F CB 1.510 39.994 39.000 -0.860 0.000 1.151 149 F HN 0.395 nan 8.300 nan 0.000 0.474 150 R N 3.792 124.006 120.500 -0.478 0.000 2.476 150 R HA 0.500 4.840 4.340 -0.000 0.000 0.305 150 R C -1.978 174.097 176.300 -0.376 0.000 0.965 150 R CA -0.463 55.439 56.100 -0.329 0.000 0.867 150 R CB 0.748 30.968 30.300 -0.133 0.000 1.176 150 R HN 0.572 nan 8.270 nan 0.000 0.447 151 F N 2.385 122.380 119.950 0.074 0.000 2.404 151 F HA 0.310 4.837 4.527 0.000 0.000 0.354 151 F C 0.358 176.135 175.800 -0.038 0.000 1.122 151 F CA -0.830 57.133 58.000 -0.062 0.000 1.080 151 F CB 2.335 41.268 39.000 -0.111 0.000 1.131 151 F HN 0.292 nan 8.300 nan 0.000 0.471 152 T N 4.776 119.379 114.554 0.083 0.000 2.762 152 T HA 0.348 4.698 4.350 -0.000 0.000 0.303 152 T C -0.365 174.368 174.700 0.055 0.000 0.977 152 T CA -0.281 61.886 62.100 0.111 0.000 0.961 152 T CB -0.167 68.765 68.868 0.107 0.000 0.944 152 T HN 0.177 nan 8.240 nan 0.000 0.481 153 F N 5.343 125.386 119.950 0.155 0.000 2.370 153 F HA 0.432 4.959 4.527 -0.000 0.000 0.324 153 F C -1.468 174.397 175.800 0.108 0.000 1.116 153 F CA -2.049 56.030 58.000 0.131 0.000 1.123 153 F CB 0.959 40.032 39.000 0.122 0.000 1.238 153 F HN 0.334 nan 8.300 nan 0.000 0.536 154 P HA 0.076 nan 4.420 nan 0.000 0.282 154 P C -1.306 176.100 177.300 0.176 0.000 1.287 154 P CA -0.579 62.648 63.100 0.211 0.000 0.792 154 P CB 0.546 32.360 31.700 0.190 0.000 1.163 155 E N 0.988 121.256 120.200 0.113 0.000 2.217 155 E HA 0.137 4.487 4.350 -0.000 0.000 0.279 155 E C -0.569 176.062 176.600 0.052 0.000 1.068 155 E CA -0.178 56.263 56.400 0.067 0.000 0.882 155 E CB -0.205 29.523 29.700 0.046 0.000 1.039 155 E HN 0.254 nan 8.360 nan 0.000 0.418 156 N N 3.605 122.313 118.700 0.013 0.000 2.636 156 N HA 0.059 4.799 4.740 -0.000 0.000 0.261 156 N C -0.929 174.503 175.510 -0.130 0.000 1.195 156 N CA -0.492 52.546 53.050 -0.020 0.000 0.902 156 N CB 1.824 40.333 38.487 0.036 0.000 1.627 156 N HN 0.430 nan 8.380 nan 0.000 0.491 157 D N -0.245 120.013 120.400 -0.237 0.000 2.347 157 D HA 0.040 4.680 4.640 -0.000 0.000 0.213 157 D C -0.357 175.500 176.300 -0.738 0.000 0.985 157 D CA 1.171 54.884 54.000 -0.477 0.000 0.879 157 D CB 0.163 40.607 40.800 -0.593 0.000 0.919 157 D HN 0.370 nan 8.370 nan 0.000 0.526 158 H N -0.154 118.800 119.070 -0.193 0.000 2.569 158 H HA 0.369 4.925 4.556 -0.000 0.000 0.247 158 H C -0.527 174.463 175.328 -0.563 0.000 1.346 158 H CA -0.284 55.508 56.048 -0.427 0.000 1.502 158 H CB 0.384 30.058 29.762 -0.148 0.000 1.512 158 H HN -0.213 nan 8.280 nan 0.000 0.502 159 S N 2.367 117.682 115.700 -0.641 0.000 2.451 159 S HA 0.566 5.036 4.470 -0.000 0.000 0.301 159 S C -0.578 173.421 174.600 -1.002 0.000 1.116 159 S CA -0.535 57.322 58.200 -0.571 0.000 1.093 159 S CB 1.008 63.811 63.200 -0.662 0.000 1.017 159 S HN 0.347 nan 8.310 nan 0.000 0.482 160 Y N 0.114 120.225 120.300 -0.314 0.000 2.605 160 Y HA 0.665 5.215 4.550 -0.000 0.000 0.343 160 Y C -0.355 175.382 175.900 -0.272 0.000 1.036 160 Y CA -1.174 56.659 58.100 -0.445 0.000 1.065 160 Y CB 1.349 39.585 38.460 -0.373 0.000 1.288 160 Y HN 0.312 nan 8.280 nan 0.000 0.481 161 V N 2.445 122.266 119.914 -0.156 0.000 2.531 161 V HA 0.439 4.559 4.120 -0.000 0.000 0.301 161 V C -0.788 175.274 176.094 -0.054 0.000 1.034 161 V CA -0.906 61.329 62.300 -0.108 0.000 0.865 161 V CB 1.625 33.426 31.823 -0.037 0.000 0.995 161 V HN 0.536 nan 8.190 nan 0.000 0.424 162 V N 5.561 125.456 119.914 -0.032 0.000 2.439 162 V HA 0.473 4.593 4.120 -0.000 0.000 0.282 162 V C -0.092 176.068 176.094 0.110 0.000 1.039 162 V CA -0.472 61.849 62.300 0.035 0.000 0.913 162 V CB 1.837 33.642 31.823 -0.029 0.000 0.983 162 V HN 0.599 nan 8.190 nan 0.000 0.460 163 V N 3.757 123.790 119.914 0.198 0.000 2.409 163 V HA 0.430 4.550 4.120 -0.000 0.000 0.291 163 V C -0.587 175.727 176.094 0.367 0.000 1.020 163 V CA -0.481 61.972 62.300 0.255 0.000 0.848 163 V CB 1.828 33.808 31.823 0.262 0.000 0.990 163 V HN 0.897 nan 8.190 nan 0.000 0.430 164 D N 3.834 124.462 120.400 0.379 0.000 2.381 164 D HA 0.551 5.191 4.640 -0.000 0.000 0.235 164 D C 0.518 177.185 176.300 0.612 0.000 1.068 164 D CA -0.332 53.990 54.000 0.537 0.000 0.832 164 D CB 2.222 43.218 40.800 0.326 0.000 1.101 164 D HN 0.551 nan 8.370 nan 0.000 0.515 165 A N 3.777 126.959 122.820 0.603 0.000 2.251 165 A HA 0.302 4.622 4.320 -0.000 0.000 0.209 165 A C 0.334 178.274 177.584 0.595 0.000 1.187 165 A CA -0.002 52.353 52.037 0.530 0.000 0.823 165 A CB -0.475 18.778 19.000 0.422 0.000 0.846 165 A HN 0.566 nan 8.150 nan 0.000 0.486 166 F N -0.822 119.255 119.950 0.212 0.000 2.183 166 F HA -0.174 4.353 4.527 0.000 0.000 0.318 166 F C 0.464 176.041 175.800 -0.372 0.000 0.966 166 F CA 0.426 58.341 58.000 -0.141 0.000 0.912 166 F CB -0.906 38.097 39.000 0.007 0.000 4.135 166 F HN 0.550 nan 8.300 nan 0.000 0.137 167 D N 0.286 120.493 120.400 -0.321 0.000 2.560 167 D HA 0.448 5.088 4.640 -0.000 0.000 0.277 167 D C 0.020 176.351 176.300 0.051 0.000 1.194 167 D CA 0.124 54.003 54.000 -0.202 0.000 1.092 167 D CB 0.389 41.055 40.800 -0.224 0.000 1.169 167 D HN 0.473 nan 8.370 nan 0.000 0.607 168 K N -1.337 119.105 120.400 0.071 0.000 3.230 168 K HA -0.015 4.305 4.320 -0.000 0.000 0.285 168 K C 0.330 177.013 176.600 0.138 0.000 1.196 168 K CA 1.006 57.356 56.287 0.106 0.000 0.838 168 K CB -2.295 30.275 32.500 0.118 0.000 1.262 168 K HN 1.417 nan 8.250 nan 0.000 0.492 169 G N 0.099 108.985 108.800 0.144 0.000 3.251 169 G HA2 0.002 3.962 3.960 -0.000 0.000 0.680 169 G HA3 0.002 3.962 3.960 -0.000 0.000 0.680 169 G C -0.199 174.832 174.900 0.217 0.000 1.129 169 G CA 0.134 45.337 45.100 0.172 0.000 0.994 169 G HN 0.951 nan 8.290 nan 0.000 0.450 170 S N 1.129 116.927 115.700 0.163 0.000 2.794 170 S HA 0.911 5.381 4.470 -0.000 0.000 0.299 170 S C -0.942 173.575 174.600 -0.138 0.000 1.179 170 S CA -0.805 57.441 58.200 0.077 0.000 0.838 170 S CB 2.791 66.088 63.200 0.163 0.000 1.206 170 S HN 2.089 nan 8.310 nan 0.000 0.523 171 Y N -0.280 119.672 120.300 -0.581 0.000 2.519 171 Y HA 0.804 5.354 4.550 -0.000 0.000 0.336 171 Y C -2.041 173.644 175.900 -0.358 0.000 1.089 171 Y CA -1.005 56.733 58.100 -0.604 0.000 1.025 171 Y CB 1.329 39.066 38.460 -1.205 0.000 1.318 171 Y HN 0.974 nan 8.280 nan 0.000 0.452 172 I N 4.988 124.965 120.570 -0.989 0.000 2.802 172 I HA 0.604 4.774 4.170 -0.000 0.000 0.298 172 I C -1.867 173.745 176.117 -0.842 0.000 1.176 172 I CA -0.550 60.317 61.300 -0.721 0.000 1.025 172 I CB 2.192 40.031 38.000 -0.268 0.000 1.243 172 I HN 0.678 nan 8.210 nan 0.000 0.424 173 K N 7.096 127.177 120.400 -0.532 0.000 2.561 173 K HA 0.579 4.899 4.320 -0.000 0.000 0.254 173 K C -2.016 174.503 176.600 -0.135 0.000 0.942 173 K CA -0.510 55.583 56.287 -0.323 0.000 0.818 173 K CB 1.416 33.738 32.500 -0.298 0.000 1.306 173 K HN 0.577 nan 8.250 nan 0.000 0.435 174 I N 5.035 125.565 120.570 -0.066 0.000 2.359 174 I HA 0.323 4.493 4.170 -0.000 0.000 0.294 174 I C -0.370 175.792 176.117 0.074 0.000 0.987 174 I CA -0.993 60.326 61.300 0.033 0.000 1.225 174 I CB 1.351 39.357 38.000 0.010 0.000 1.366 174 I HN 0.490 nan 8.210 nan 0.000 0.466 175 I N 8.849 129.507 120.570 0.147 0.000 2.503 175 I HA 0.254 4.424 4.170 -0.000 0.000 0.277 175 I C -1.770 174.443 176.117 0.159 0.000 1.078 175 I CA -1.441 59.926 61.300 0.112 0.000 1.184 175 I CB 1.034 39.073 38.000 0.065 0.000 1.353 175 I HN 0.336 nan 8.210 nan 0.000 0.490 176 P HA -0.165 nan 4.420 nan 0.000 0.216 176 P C 0.839 178.113 177.300 -0.044 0.000 1.150 176 P CA 1.265 64.422 63.100 0.095 0.000 0.837 176 P CB 0.165 31.927 31.700 0.104 0.000 0.786 177 E N -0.221 119.974 120.200 -0.009 0.000 2.515 177 E HA -0.112 4.238 4.350 -0.000 0.000 0.201 177 E C 0.805 177.387 176.600 -0.030 0.000 1.071 177 E CA 0.776 57.160 56.400 -0.027 0.000 0.880 177 E CB -0.719 28.975 29.700 -0.010 0.000 0.828 177 E HN 0.481 nan 8.360 nan 0.000 0.540 178 E N 0.101 120.289 120.200 -0.021 0.000 2.810 178 E HA 0.145 4.495 4.350 -0.000 0.000 0.214 178 E C -0.532 176.066 176.600 -0.004 0.000 0.980 178 E CA -0.383 56.014 56.400 -0.004 0.000 1.159 178 E CB 0.318 30.034 29.700 0.027 0.000 1.047 178 E HN 0.024 nan 8.360 nan 0.000 0.484 179 N N 2.324 120.947 118.700 -0.128 0.000 2.714 179 N HA -0.215 4.525 4.740 -0.000 0.000 0.252 179 N C -0.683 175.012 175.510 0.309 0.000 1.014 179 N CA 1.255 54.146 53.050 -0.265 0.000 0.735 179 N CB -0.833 37.568 38.487 -0.143 0.000 0.924 179 N HN 0.312 nan 8.380 nan 0.000 0.540 180 K N 0.355 120.999 120.400 0.407 0.000 2.422 180 K HA 0.617 4.937 4.320 -0.000 0.000 0.251 180 K C -0.866 175.983 176.600 0.415 0.000 0.933 180 K CA -0.638 55.885 56.287 0.394 0.000 0.798 180 K CB 1.415 34.027 32.500 0.188 0.000 1.238 180 K HN 0.074 nan 8.250 nan 0.000 0.428 181 I N 6.221 127.011 120.570 0.366 0.000 2.436 181 I HA 0.391 4.561 4.170 -0.000 0.000 0.289 181 I C -0.083 176.141 176.117 0.179 0.000 1.010 181 I CA -1.024 60.427 61.300 0.251 0.000 1.098 181 I CB 1.615 39.802 38.000 0.310 0.000 1.266 181 I HN 0.607 nan 8.210 nan 0.000 0.434 182 I N 2.501 123.083 120.570 0.020 0.000 2.910 182 I HA 1.067 5.237 4.170 -0.000 0.000 0.310 182 I C -0.113 175.812 176.117 -0.319 0.000 1.043 182 I CA -0.427 60.812 61.300 -0.101 0.000 1.053 182 I CB 2.341 40.185 38.000 -0.260 0.000 1.242 182 I HN 0.620 nan 8.210 nan 0.000 0.452 183 G N 2.071 110.465 108.800 -0.678 0.000 2.441 183 G HA2 0.526 4.486 3.960 -0.000 0.000 0.294 183 G HA3 0.526 4.486 3.960 -0.000 0.000 0.294 183 G C -2.161 172.200 174.900 -0.898 0.000 1.393 183 G CA -0.573 44.022 45.100 -0.843 0.000 0.796 183 G HN 1.041 nan 8.290 nan 0.000 0.494 184 Y N -1.527 118.567 120.300 -0.343 0.000 2.553 184 Y HA 0.867 5.417 4.550 0.000 0.000 0.347 184 Y C -0.371 175.519 175.900 -0.017 0.000 1.019 184 Y CA -1.322 56.576 58.100 -0.336 0.000 1.032 184 Y CB 1.842 40.020 38.460 -0.470 0.000 1.284 184 Y HN 0.753 nan 8.280 nan 0.000 0.466 185 T N 0.428 115.147 114.554 0.274 0.000 2.887 185 T HA 0.516 4.866 4.350 -0.000 0.000 0.288 185 T C 0.309 175.139 174.700 0.217 0.000 1.021 185 T CA 0.162 62.439 62.100 0.295 0.000 1.000 185 T CB 1.308 70.355 68.868 0.298 0.000 1.034 185 T HN 1.183 nan 8.240 nan 0.000 0.467 186 T N 1.005 115.728 114.554 0.282 0.000 3.009 186 T HA 0.290 4.640 4.350 -0.000 0.000 0.267 186 T C 0.726 175.677 174.700 0.417 0.000 0.942 186 T CA -0.392 61.910 62.100 0.337 0.000 0.883 186 T CB -0.112 68.917 68.868 0.268 0.000 1.192 186 T HN 0.642 nan 8.240 nan 0.000 0.524 187 R N 3.123 123.812 120.500 0.316 0.000 2.504 187 R HA 0.131 4.471 4.340 -0.000 0.000 0.291 187 R C -0.268 176.187 176.300 0.259 0.000 0.974 187 R CA 0.692 56.948 56.100 0.260 0.000 1.077 187 R CB 0.091 30.551 30.300 0.266 0.000 0.926 187 R HN 0.725 nan 8.270 nan 0.000 0.407 188 N N 1.340 120.143 118.700 0.171 0.000 2.972 188 N HA 0.128 4.868 4.740 -0.000 0.000 0.262 188 N C -1.119 174.419 175.510 0.047 0.000 1.478 188 N CA -0.897 52.213 53.050 0.100 0.000 0.841 188 N CB 1.668 40.102 38.487 -0.088 0.000 1.512 188 N HN 0.356 nan 8.380 nan 0.000 0.548 189 S N -1.267 114.436 115.700 0.006 0.000 2.663 189 S HA 0.536 5.006 4.470 -0.000 0.000 0.243 189 S C 0.461 175.024 174.600 -0.061 0.000 1.009 189 S CA 0.108 58.303 58.200 -0.007 0.000 0.988 189 S CB -0.163 63.043 63.200 0.010 0.000 0.896 189 S HN 1.126 nan 8.310 nan 0.000 0.502 190 G N 0.223 108.960 108.800 -0.106 0.000 2.479 190 G HA2 0.392 4.352 3.960 -0.000 0.000 0.686 190 G HA3 0.392 4.352 3.960 -0.000 0.000 0.686 190 G C 0.288 175.059 174.900 -0.215 0.000 1.295 190 G CA -0.369 44.655 45.100 -0.127 0.000 0.922 190 G HN 1.129 nan 8.290 nan 0.000 0.582 191 G N -2.250 106.434 108.800 -0.193 0.000 2.246 191 G HA2 0.298 4.258 3.960 -0.000 0.000 0.273 191 G HA3 0.298 4.258 3.960 -0.000 0.000 0.273 191 G C 0.747 175.427 174.900 -0.366 0.000 1.055 191 G CA 1.415 46.363 45.100 -0.252 0.000 0.851 191 G HN 2.437 nan 8.290 nan 0.000 0.500 192 V N -3.590 116.146 119.914 -0.296 0.000 2.962 192 V HA 0.943 5.063 4.120 -0.000 0.000 0.313 192 V C -2.138 173.908 176.094 -0.080 0.000 1.099 192 V CA -2.681 59.447 62.300 -0.288 0.000 0.971 192 V CB 2.022 33.557 31.823 -0.479 0.000 1.028 192 V HN 0.086 nan 8.190 nan 0.000 0.430 193 P HA 0.355 nan 4.420 nan 0.000 0.274 193 P C 0.656 178.053 177.300 0.160 0.000 1.237 193 P CA -0.301 62.856 63.100 0.097 0.000 0.793 193 P CB 0.638 32.410 31.700 0.121 0.000 0.977 194 E N 1.482 121.753 120.200 0.119 0.000 2.171 194 E HA -0.192 4.158 4.350 -0.000 0.000 0.197 194 E C 1.000 177.680 176.600 0.133 0.000 0.997 194 E CA 1.348 57.815 56.400 0.111 0.000 0.810 194 E CB -0.574 29.174 29.700 0.080 0.000 0.738 194 E HN 0.547 nan 8.360 nan 0.000 0.467 195 N N 0.546 119.342 118.700 0.160 0.000 2.362 195 N HA -0.094 4.646 4.740 -0.000 0.000 0.204 195 N C 0.056 175.619 175.510 0.089 0.000 1.166 195 N CA -0.309 52.809 53.050 0.114 0.000 0.831 195 N CB -0.846 37.713 38.487 0.119 0.000 1.008 195 N HN -0.027 nan 8.380 nan 0.000 0.472 196 F N 2.110 122.087 119.950 0.045 0.000 2.578 196 F HA 0.243 4.770 4.527 -0.000 0.000 0.376 196 F C 0.048 175.738 175.800 -0.184 0.000 1.085 196 F CA 0.155 58.144 58.000 -0.018 0.000 1.260 196 F CB 0.440 39.490 39.000 0.084 0.000 1.095 196 F HN -0.069 nan 8.300 nan 0.000 0.573 197 K N 4.938 124.566 120.400 -1.285 0.000 2.542 197 K HA 0.177 4.497 4.320 -0.000 0.000 0.259 197 K C -1.469 174.333 176.600 -1.329 0.000 0.932 197 K CA -1.015 54.487 56.287 -1.308 0.000 0.820 197 K CB 1.909 33.529 32.500 -1.466 0.000 1.345 197 K HN 0.664 nan 8.250 nan 0.000 0.432 198 N N 2.645 120.771 118.700 -0.957 0.000 2.446 198 N HA 0.246 4.986 4.740 -0.000 0.000 0.265 198 N C -1.396 173.747 175.510 -0.612 0.000 0.975 198 N CA -0.354 52.267 53.050 -0.715 0.000 0.928 198 N CB 0.650 38.927 38.487 -0.351 0.000 1.160 198 N HN 0.388 nan 8.380 nan 0.000 0.495 199 Y N 3.823 123.852 120.300 -0.452 0.000 2.327 199 Y HA 0.316 4.866 4.550 -0.000 0.000 0.336 199 Y C 0.055 175.810 175.900 -0.243 0.000 1.035 199 Y CA -0.727 57.040 58.100 -0.555 0.000 1.165 199 Y CB 0.480 38.379 38.460 -0.937 0.000 1.181 199 Y HN 0.318 nan 8.280 nan 0.000 0.494 200 F N 1.409 121.368 119.950 0.014 0.000 2.577 200 F HA 0.899 5.426 4.527 -0.000 0.000 0.318 200 F C -1.419 174.486 175.800 0.175 0.000 1.065 200 F CA -2.019 55.982 58.000 0.003 0.000 0.929 200 F CB 1.161 39.892 39.000 -0.448 0.000 1.237 200 F HN 0.209 nan 8.300 nan 0.000 0.468 201 I N 3.326 124.143 120.570 0.411 0.000 2.582 201 I HA 0.514 4.684 4.170 -0.000 0.000 0.292 201 I C -1.056 175.237 176.117 0.295 0.000 1.066 201 I CA -0.830 60.655 61.300 0.308 0.000 1.053 201 I CB 2.449 40.583 38.000 0.224 0.000 1.241 201 I HN 0.588 nan 8.210 nan 0.000 0.421 202 I N 4.861 125.569 120.570 0.230 0.000 2.468 202 I HA 0.321 4.491 4.170 -0.000 0.000 0.285 202 I C -0.751 175.372 176.117 0.009 0.000 1.039 202 I CA -0.465 60.891 61.300 0.093 0.000 1.074 202 I CB 1.917 39.972 38.000 0.092 0.000 1.228 202 I HN 0.528 nan 8.210 nan 0.000 0.436 203 E N 5.830 125.991 120.200 -0.066 0.000 2.133 203 E HA 0.496 4.846 4.350 -0.000 0.000 0.274 203 E C -1.327 175.202 176.600 -0.117 0.000 0.930 203 E CA -0.561 55.837 56.400 -0.003 0.000 0.770 203 E CB 1.808 31.534 29.700 0.043 0.000 1.104 203 E HN 0.281 nan 8.360 nan 0.000 0.403 204 F N 1.809 121.908 119.950 0.249 0.000 2.397 204 F HA 0.132 4.660 4.527 0.000 0.000 0.331 204 F C 1.229 177.111 175.800 0.136 0.000 1.090 204 F CA -0.815 57.342 58.000 0.262 0.000 1.065 204 F CB 0.983 40.261 39.000 0.463 0.000 1.184 204 F HN 0.439 nan 8.300 nan 0.000 0.499 205 D N 0.962 121.535 120.400 0.289 0.000 2.434 205 D HA 0.041 4.681 4.640 -0.000 0.000 0.232 205 D C -0.181 176.170 176.300 0.084 0.000 1.166 205 D CA 0.091 54.174 54.000 0.138 0.000 0.830 205 D CB 0.050 40.904 40.800 0.090 0.000 0.960 205 D HN 0.197 nan 8.370 nan 0.000 0.497 206 K N 1.016 121.483 120.400 0.113 0.000 2.553 206 K HA 0.344 4.664 4.320 -0.000 0.000 0.250 206 K C -3.187 173.410 176.600 -0.005 0.000 0.953 206 K CA -1.765 54.495 56.287 -0.045 0.000 0.800 206 K CB 2.580 34.902 32.500 -0.296 0.000 1.243 206 K HN -0.145 nan 8.250 nan 0.000 0.435 207 P HA 0.151 nan 4.420 nan 0.000 0.271 207 P C -0.650 176.703 177.300 0.087 0.000 1.216 207 P CA -0.190 62.822 63.100 -0.146 0.000 0.776 207 P CB 0.152 31.796 31.700 -0.093 0.000 0.881 208 F N 0.467 120.499 119.950 0.136 0.000 2.467 208 F HA 0.176 4.703 4.527 -0.000 0.000 0.362 208 F C 1.830 177.681 175.800 0.084 0.000 1.090 208 F CA -0.061 58.004 58.000 0.108 0.000 1.202 208 F CB -0.590 38.419 39.000 0.015 0.000 1.113 208 F HN 0.211 nan 8.300 nan 0.000 0.541 209 T N 1.904 116.629 114.554 0.286 0.000 3.057 209 T HA -0.007 4.343 4.350 -0.000 0.000 0.254 209 T C -0.728 174.090 174.700 0.197 0.000 1.094 209 T CA 0.714 62.923 62.100 0.183 0.000 1.088 209 T CB -0.310 68.645 68.868 0.146 0.000 0.934 209 T HN 0.474 nan 8.240 nan 0.000 0.497 210 Y N 2.329 122.656 120.300 0.044 0.000 2.457 210 Y HA 0.539 5.089 4.550 -0.000 0.000 0.343 210 Y C -1.504 174.380 175.900 -0.026 0.000 0.994 210 Y CA -1.571 56.544 58.100 0.025 0.000 1.031 210 Y CB 1.168 39.663 38.460 0.059 0.000 1.246 210 Y HN -0.034 nan 8.280 nan 0.000 0.449 211 K N 4.255 124.305 120.400 -0.583 0.000 2.523 211 K HA 0.992 5.312 4.320 -0.000 0.000 0.257 211 K C -2.041 174.217 176.600 -0.571 0.000 0.932 211 K CA -1.108 54.937 56.287 -0.404 0.000 0.812 211 K CB 2.349 34.746 32.500 -0.170 0.000 1.326 211 K HN 0.836 nan 8.250 nan 0.000 0.433 212 A N 0.946 123.579 122.820 -0.312 0.000 2.589 212 A HA 0.680 5.000 4.320 -0.000 0.000 0.296 212 A C -0.878 176.616 177.584 -0.149 0.000 1.062 212 A CA -0.659 51.239 52.037 -0.232 0.000 0.686 212 A CB 1.583 20.486 19.000 -0.161 0.000 1.282 212 A HN 0.857 nan 8.150 nan 0.000 0.404 213 T N -1.290 113.173 114.554 -0.152 0.000 2.952 213 T HA 0.797 5.147 4.350 -0.000 0.000 0.286 213 T C -0.440 174.137 174.700 -0.205 0.000 1.024 213 T CA -0.703 61.300 62.100 -0.162 0.000 1.029 213 T CB 1.428 70.203 68.868 -0.155 0.000 1.094 213 T HN 1.117 nan 8.240 nan 0.000 0.515 214 V N 1.467 121.205 119.914 -0.293 0.000 2.656 214 V HA 0.652 4.772 4.120 -0.000 0.000 0.307 214 V C -0.420 175.449 176.094 -0.375 0.000 1.051 214 V CA -0.767 61.277 62.300 -0.426 0.000 0.893 214 V CB 1.626 32.923 31.823 -0.877 0.000 0.999 214 V HN 1.061 nan 8.190 nan 0.000 0.426 215 E N 4.554 124.579 120.200 -0.293 0.000 2.402 215 E HA 0.271 4.621 4.350 -0.000 0.000 0.244 215 E C -0.361 176.138 176.600 -0.168 0.000 0.945 215 E CA -0.433 55.851 56.400 -0.192 0.000 0.774 215 E CB 0.705 30.332 29.700 -0.122 0.000 1.296 215 E HN 0.852 nan 8.360 nan 0.000 0.414 216 N N 3.402 122.001 118.700 -0.169 0.000 2.696 216 N HA -0.268 4.472 4.740 -0.000 0.000 0.256 216 N C 0.713 176.148 175.510 -0.125 0.000 1.031 216 N CA 0.565 53.554 53.050 -0.101 0.000 0.730 216 N CB -0.954 37.517 38.487 -0.027 0.000 0.894 216 N HN 0.925 nan 8.380 nan 0.000 0.544 217 G N -0.622 108.045 108.800 -0.221 0.000 2.328 217 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.256 217 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.256 217 G C 0.134 174.948 174.900 -0.144 0.000 1.014 217 G CA 0.478 45.492 45.100 -0.144 0.000 0.620 217 G HN 0.520 nan 8.290 nan 0.000 0.530 218 N N 0.834 119.443 118.700 -0.151 0.000 2.470 218 N HA 0.453 5.193 4.740 -0.000 0.000 0.268 218 N C -0.127 175.290 175.510 -0.154 0.000 1.136 218 N CA -0.313 52.664 53.050 -0.123 0.000 0.961 218 N CB 1.305 39.734 38.487 -0.095 0.000 1.067 218 N HN 0.264 nan 8.380 nan 0.000 0.468 219 L N 2.907 124.060 121.223 -0.116 0.000 2.319 219 L HA 0.188 4.528 4.340 -0.000 0.000 0.280 219 L C -0.165 176.648 176.870 -0.095 0.000 1.099 219 L CA 0.123 54.897 54.840 -0.110 0.000 0.828 219 L CB 0.189 42.208 42.059 -0.066 0.000 1.150 219 L HN 0.449 nan 8.230 nan 0.000 0.442 220 Q N 4.759 124.492 119.800 -0.112 0.000 2.394 220 Q HA 0.270 4.610 4.340 -0.000 0.000 0.261 220 Q C -0.705 175.219 176.000 -0.127 0.000 1.023 220 Q CA -0.460 55.281 55.803 -0.103 0.000 0.720 220 Q CB 1.681 30.358 28.738 -0.100 0.000 1.241 220 Q HN 0.572 nan 8.270 nan 0.000 0.483 221 E N 2.655 122.775 120.200 -0.133 0.000 2.376 221 E HA -0.062 4.288 4.350 -0.000 0.000 0.266 221 E C -0.038 176.454 176.600 -0.179 0.000 1.009 221 E CA 0.231 56.501 56.400 -0.217 0.000 0.902 221 E CB 0.321 29.894 29.700 -0.211 0.000 0.972 221 E HN 0.500 nan 8.360 nan 0.000 0.439 222 N N 1.406 119.980 118.700 -0.209 0.000 2.863 222 N HA -0.177 4.563 4.740 -0.000 0.000 0.245 222 N C -1.045 174.406 175.510 -0.098 0.000 1.001 222 N CA 0.901 53.867 53.050 -0.139 0.000 0.901 222 N CB -1.197 37.222 38.487 -0.112 0.000 1.124 222 N HN 0.201 nan 8.380 nan 0.000 0.582 223 V N 1.033 120.886 119.914 -0.103 0.000 2.408 223 V HA 0.439 4.559 4.120 -0.000 0.000 0.267 223 V C 1.677 177.720 176.094 -0.085 0.000 1.047 223 V CA 0.418 62.670 62.300 -0.081 0.000 0.937 223 V CB 1.248 33.023 31.823 -0.080 0.000 0.999 223 V HN 0.352 nan 8.190 nan 0.000 0.472 224 A N 4.251 127.032 122.820 -0.064 0.000 2.066 224 A HA 0.046 4.366 4.320 -0.000 0.000 0.218 224 A C 0.906 178.439 177.584 -0.085 0.000 1.157 224 A CA 0.899 52.900 52.037 -0.060 0.000 0.670 224 A CB 0.019 18.999 19.000 -0.033 0.000 0.804 224 A HN 0.820 nan 8.150 nan 0.000 0.453 225 E N -0.475 119.674 120.200 -0.084 0.000 2.335 225 E HA 0.388 4.738 4.350 -0.000 0.000 0.280 225 E C -1.746 174.803 176.600 -0.086 0.000 0.918 225 E CA -0.662 55.676 56.400 -0.102 0.000 0.765 225 E CB 0.922 30.613 29.700 -0.016 0.000 1.218 225 E HN 0.179 nan 8.360 nan 0.000 0.425 226 Q N 1.992 121.709 119.800 -0.139 0.000 2.305 226 Q HA 0.387 4.727 4.340 -0.000 0.000 0.271 226 Q C -1.332 174.680 176.000 0.019 0.000 1.046 226 Q CA -0.663 55.098 55.803 -0.071 0.000 0.798 226 Q CB 2.446 31.115 28.738 -0.114 0.000 1.286 226 Q HN 0.522 nan 8.270 nan 0.000 0.435 227 T N 1.902 116.517 114.554 0.101 0.000 2.912 227 T HA 0.587 4.937 4.350 -0.000 0.000 0.326 227 T C -0.389 174.362 174.700 0.084 0.000 1.080 227 T CA -0.238 61.953 62.100 0.152 0.000 1.000 227 T CB 1.053 70.023 68.868 0.170 0.000 1.008 227 T HN 0.584 nan 8.240 nan 0.000 0.473 228 T N 1.075 115.672 114.554 0.072 0.000 2.693 228 T HA 0.262 4.612 4.350 -0.000 0.000 0.304 228 T C 0.514 175.270 174.700 0.092 0.000 1.471 228 T CA -0.396 61.742 62.100 0.065 0.000 0.993 228 T CB 1.615 70.501 68.868 0.030 0.000 1.554 228 T HN 0.431 nan 8.240 nan 0.000 0.496 229 D N 0.111 120.568 120.400 0.096 0.000 2.104 229 D HA -0.113 4.527 4.640 -0.000 0.000 0.194 229 D C 0.702 177.108 176.300 0.177 0.000 0.994 229 D CA 1.732 55.805 54.000 0.122 0.000 0.830 229 D CB -0.019 40.846 40.800 0.108 0.000 0.959 229 D HN 0.563 nan 8.370 nan 0.000 0.452 230 H N -0.817 118.281 119.070 0.046 0.000 2.716 230 H HA 0.574 5.130 4.556 0.000 0.000 0.260 230 H C -1.223 174.099 175.328 -0.010 0.000 1.280 230 H CA -0.894 55.191 56.048 0.063 0.000 1.506 230 H CB 0.593 30.397 29.762 0.071 0.000 1.514 230 H HN 0.177 nan 8.280 nan 0.000 0.502 231 A N 3.122 126.069 122.820 0.213 0.000 2.322 231 A HA 0.702 5.022 4.320 -0.000 0.000 0.269 231 A C 0.343 177.947 177.584 0.034 0.000 1.094 231 A CA 0.270 52.319 52.037 0.020 0.000 0.807 231 A CB 0.861 19.847 19.000 -0.024 0.000 1.047 231 A HN 0.755 nan 8.150 nan 0.000 0.487 232 G N -1.320 107.368 108.800 -0.186 0.000 2.660 232 G HA2 0.773 4.733 3.960 -0.000 0.000 0.290 232 G HA3 0.773 4.733 3.960 -0.000 0.000 0.290 232 G C -1.045 173.791 174.900 -0.105 0.000 1.432 232 G CA 0.107 45.147 45.100 -0.101 0.000 0.807 232 G HN 1.726 nan 8.290 nan 0.000 0.485 233 A N -0.282 122.573 122.820 0.058 0.000 2.475 233 A HA 0.861 5.181 4.320 -0.000 0.000 0.301 233 A C -1.135 176.480 177.584 0.053 0.000 1.059 233 A CA -0.602 51.437 52.037 0.003 0.000 0.710 233 A CB 1.330 20.332 19.000 0.003 0.000 1.288 233 A HN 0.770 nan 8.150 nan 0.000 0.408 234 I N 2.404 122.974 120.570 -0.000 0.000 2.478 234 I HA 0.436 4.606 4.170 -0.000 0.000 0.287 234 I C -0.940 175.172 176.117 -0.008 0.000 1.042 234 I CA -0.597 60.709 61.300 0.010 0.000 1.067 234 I CB 1.749 39.761 38.000 0.020 0.000 1.233 234 I HN 0.682 nan 8.210 nan 0.000 0.431 235 I N 2.874 123.328 120.570 -0.193 0.000 2.797 235 I HA 1.064 5.234 4.170 -0.000 0.000 0.307 235 I C 0.112 175.997 176.117 -0.387 0.000 1.033 235 I CA -0.315 60.764 61.300 -0.369 0.000 1.071 235 I CB 1.987 39.285 38.000 -1.170 0.000 1.255 235 I HN 0.547 nan 8.210 nan 0.000 0.445 236 G N 2.138 110.683 108.800 -0.425 0.000 2.687 236 G HA2 0.869 4.829 3.960 -0.000 0.000 0.291 236 G HA3 0.869 4.829 3.960 -0.000 0.000 0.291 236 G C -1.459 172.904 174.900 -0.895 0.000 1.420 236 G CA -0.828 43.697 45.100 -0.958 0.000 0.796 236 G HN 0.995 nan 8.290 nan 0.000 0.485 237 F N -2.526 117.206 119.950 -0.364 0.000 2.944 237 F HA 0.576 5.103 4.527 0.000 0.000 0.324 237 F C -0.689 174.901 175.800 -0.350 0.000 1.151 237 F CA -1.608 56.238 58.000 -0.257 0.000 0.883 237 F CB 1.208 40.098 39.000 -0.183 0.000 1.341 237 F HN 0.367 nan 8.300 nan 0.000 0.456 238 K N 1.175 121.591 120.400 0.027 0.000 2.218 238 K HA 0.588 4.908 4.320 -0.000 0.000 0.276 238 K C -0.627 175.915 176.600 -0.097 0.000 1.022 238 K CA -0.388 55.844 56.287 -0.092 0.000 0.946 238 K CB 1.683 34.123 32.500 -0.099 0.000 1.000 238 K HN 0.765 nan 8.250 nan 0.000 0.468 239 T N 0.006 114.492 114.554 -0.113 0.000 2.876 239 T HA 0.425 4.775 4.350 -0.000 0.000 0.289 239 T C -0.126 174.554 174.700 -0.033 0.000 1.014 239 T CA -1.126 60.911 62.100 -0.104 0.000 0.986 239 T CB 1.526 70.323 68.868 -0.119 0.000 1.021 239 T HN 0.413 nan 8.240 nan 0.000 0.458 240 R N 1.058 121.547 120.500 -0.019 0.000 2.531 240 R HA 0.342 4.682 4.340 -0.000 0.000 0.273 240 R C 0.385 176.715 176.300 0.050 0.000 1.070 240 R CA -0.893 55.212 56.100 0.008 0.000 1.112 240 R CB 0.719 31.019 30.300 -0.000 0.000 1.049 240 R HN 0.720 nan 8.270 nan 0.000 0.508 241 K N 0.841 121.273 120.400 0.053 0.000 2.491 241 K HA -0.083 4.237 4.320 -0.000 0.000 0.279 241 K C 0.610 177.259 176.600 0.081 0.000 1.026 241 K CA 1.248 57.580 56.287 0.076 0.000 1.070 241 K CB 0.040 32.575 32.500 0.059 0.000 0.887 241 K HN 0.774 nan 8.250 nan 0.000 0.481 242 G N 2.644 111.511 108.800 0.113 0.000 2.179 242 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.260 242 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.260 242 G C -0.032 174.936 174.900 0.114 0.000 0.977 242 G CA 0.445 45.609 45.100 0.106 0.000 0.641 242 G HN 0.770 nan 8.290 nan 0.000 0.533 243 E N 0.721 120.996 120.200 0.126 0.000 2.414 243 E HA 0.352 4.702 4.350 -0.000 0.000 0.263 243 E C 0.400 177.106 176.600 0.177 0.000 1.000 243 E CA 0.072 56.536 56.400 0.106 0.000 0.914 243 E CB 0.201 29.930 29.700 0.049 0.000 0.948 243 E HN 0.530 nan 8.360 nan 0.000 0.444 244 Q N 2.367 122.244 119.800 0.129 0.000 2.271 244 Q HA 0.427 4.767 4.340 -0.000 0.000 0.258 244 Q C -1.195 174.907 176.000 0.170 0.000 0.936 244 Q CA -0.847 55.056 55.803 0.166 0.000 0.909 244 Q CB 2.302 31.100 28.738 0.099 0.000 1.253 244 Q HN 0.318 nan 8.270 nan 0.000 0.440 245 V N 3.188 123.281 119.914 0.299 0.000 2.487 245 V HA 0.342 4.462 4.120 -0.000 0.000 0.298 245 V C -0.405 175.873 176.094 0.307 0.000 1.028 245 V CA -0.914 61.575 62.300 0.315 0.000 0.860 245 V CB 1.663 33.790 31.823 0.507 0.000 0.991 245 V HN 0.759 nan 8.190 nan 0.000 0.427 246 N N 2.869 121.693 118.700 0.206 0.000 2.443 246 N HA 0.740 5.480 4.740 -0.000 0.000 0.295 246 N C -0.528 175.059 175.510 0.128 0.000 1.076 246 N CA -0.314 52.791 53.050 0.092 0.000 0.919 246 N CB 2.566 41.073 38.487 0.033 0.000 1.176 246 N HN 0.782 nan 8.380 nan 0.000 0.487 247 A N 2.289 125.109 122.820 0.000 0.000 2.319 247 A HA 0.479 4.799 4.320 -0.000 0.000 0.310 247 A C -0.256 177.276 177.584 -0.087 0.000 1.152 247 A CA -0.709 51.249 52.037 -0.133 0.000 0.783 247 A CB 0.900 19.762 19.000 -0.230 0.000 1.184 247 A HN 0.603 nan 8.150 nan 0.000 0.474 248 R N 1.802 122.250 120.500 -0.086 0.000 2.254 248 R HA 0.630 4.970 4.340 -0.000 0.000 0.318 248 R C -0.877 175.430 176.300 0.011 0.000 1.031 248 R CA 0.091 56.175 56.100 -0.026 0.000 0.905 248 R CB 0.947 31.247 30.300 -0.001 0.000 1.050 248 R HN 0.678 nan 8.270 nan 0.000 0.456 249 I N 1.627 122.232 120.570 0.059 0.000 2.608 249 I HA 0.687 4.857 4.170 -0.000 0.000 0.295 249 I C -0.445 175.818 176.117 0.243 0.000 1.049 249 I CA -0.910 60.497 61.300 0.179 0.000 1.063 249 I CB 2.231 40.369 38.000 0.231 0.000 1.248 249 I HN 0.658 nan 8.210 nan 0.000 0.424 250 A N 3.457 126.472 122.820 0.325 0.000 2.609 250 A HA 0.916 5.236 4.320 -0.000 0.000 0.291 250 A C -0.922 176.876 177.584 0.356 0.000 1.096 250 A CA -0.447 51.779 52.037 0.315 0.000 0.684 250 A CB 2.110 21.233 19.000 0.205 0.000 1.282 250 A HN 0.766 nan 8.150 nan 0.000 0.412 251 S N -0.484 115.377 115.700 0.269 0.000 2.638 251 S HA 0.903 5.373 4.470 -0.000 0.000 0.274 251 S C -0.609 173.992 174.600 0.002 0.000 1.157 251 S CA -0.065 58.237 58.200 0.169 0.000 0.826 251 S CB 1.565 64.893 63.200 0.213 0.000 1.139 251 S HN 1.899 nan 8.310 nan 0.000 0.474 252 S N -0.852 114.779 115.700 -0.114 0.000 2.588 252 S HA 0.702 5.172 4.470 -0.000 0.000 0.275 252 S C -1.195 173.207 174.600 -0.329 0.000 1.130 252 S CA -0.691 57.411 58.200 -0.162 0.000 0.855 252 S CB 0.933 64.107 63.200 -0.044 0.000 1.116 252 S HN 0.638 nan 8.310 nan 0.000 0.472 253 F N 1.551 121.442 119.950 -0.099 0.000 2.664 253 F HA 0.456 4.983 4.527 -0.000 0.000 0.303 253 F C 1.176 176.868 175.800 -0.180 0.000 1.092 253 F CA 0.050 57.910 58.000 -0.234 0.000 1.305 253 F CB 0.187 39.025 39.000 -0.271 0.000 1.054 253 F HN 0.390 nan 8.300 nan 0.000 0.565 254 I N -1.688 118.929 120.570 0.077 0.000 3.132 254 I HA 0.099 4.269 4.170 -0.000 0.000 0.255 254 I C 0.649 176.583 176.117 -0.305 0.000 1.118 254 I CA 0.323 61.622 61.300 -0.001 0.000 1.463 254 I CB 0.296 38.307 38.000 0.017 0.000 1.356 254 I HN 0.014 nan 8.210 nan 0.000 0.463 255 S N -1.559 113.812 115.700 -0.547 0.000 2.615 255 S HA 0.331 4.801 4.470 -0.000 0.000 0.268 255 S C -0.023 174.128 174.600 -0.748 0.000 1.146 255 S CA -0.681 56.910 58.200 -1.015 0.000 0.818 255 S CB 0.697 63.614 63.200 -0.471 0.000 1.111 255 S HN 0.034 nan 8.310 nan 0.000 0.465 256 F N 1.451 121.073 119.950 -0.545 0.000 2.171 256 F HA 0.099 4.626 4.527 -0.000 0.000 0.300 256 F C 3.156 178.884 175.800 -0.120 0.000 1.090 256 F CA 2.128 60.007 58.000 -0.201 0.000 1.293 256 F CB -1.054 37.875 39.000 -0.118 0.000 1.013 256 F HN 0.929 nan 8.300 nan 0.000 0.486 257 E N -0.033 120.191 120.200 0.040 0.000 2.085 257 E HA -0.291 4.059 4.350 -0.000 0.000 0.194 257 E C 1.961 178.568 176.600 0.012 0.000 0.994 257 E CA 1.660 58.075 56.400 0.023 0.000 0.801 257 E CB -1.044 28.652 29.700 -0.006 0.000 0.743 257 E HN 0.427 nan 8.360 nan 0.000 0.453 258 Q N -0.311 119.470 119.800 -0.032 0.000 2.123 258 Q HA 0.167 4.507 4.340 -0.000 0.000 0.199 258 Q C 2.290 178.303 176.000 0.021 0.000 0.966 258 Q CA 1.946 57.742 55.803 -0.012 0.000 0.845 258 Q CB -0.485 28.231 28.738 -0.037 0.000 0.907 258 Q HN 0.543 nan 8.270 nan 0.000 0.439 259 A N 0.387 123.222 122.820 0.024 0.000 1.908 259 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 259 A C 2.294 179.942 177.584 0.106 0.000 1.181 259 A CA 1.961 54.047 52.037 0.083 0.000 0.627 259 A CB -1.211 17.868 19.000 0.131 0.000 0.818 259 A HN 0.512 nan 8.150 nan 0.000 0.445 260 A N -0.256 122.626 122.820 0.103 0.000 1.933 260 A HA 0.150 4.470 4.320 -0.000 0.000 0.218 260 A C 2.484 180.112 177.584 0.072 0.000 1.175 260 A CA 2.105 54.197 52.037 0.092 0.000 0.628 260 A CB -0.937 18.110 19.000 0.079 0.000 0.814 260 A HN 1.053 nan 8.150 nan 0.000 0.444 261 A N 0.332 123.189 122.820 0.061 0.000 1.898 261 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 261 A C 1.876 179.499 177.584 0.065 0.000 1.181 261 A CA 1.777 53.848 52.037 0.055 0.000 0.620 261 A CB -0.649 18.380 19.000 0.047 0.000 0.819 261 A HN 0.527 nan 8.150 nan 0.000 0.442 262 N N -0.608 118.135 118.700 0.072 0.000 2.149 262 N HA -0.198 4.542 4.740 -0.000 0.000 0.188 262 N C 1.511 177.075 175.510 0.090 0.000 1.019 262 N CA 1.803 54.902 53.050 0.082 0.000 0.857 262 N CB -0.533 38.008 38.487 0.090 0.000 0.997 262 N HN 0.534 nan 8.380 nan 0.000 0.426 263 M N 1.044 120.700 119.600 0.094 0.000 2.260 263 M HA -0.125 4.355 4.480 -0.000 0.000 0.261 263 M C 0.847 177.188 176.300 0.069 0.000 1.066 263 M CA 1.514 56.868 55.300 0.090 0.000 1.082 263 M CB -0.441 32.213 32.600 0.090 0.000 1.388 263 M HN 0.165 nan 8.290 nan 0.000 0.419 264 N N -0.337 118.401 118.700 0.063 0.000 2.520 264 N HA -0.122 4.618 4.740 -0.000 0.000 0.185 264 N C 1.056 176.598 175.510 0.052 0.000 1.068 264 N CA 0.906 53.987 53.050 0.053 0.000 0.911 264 N CB -0.103 38.414 38.487 0.049 0.000 0.961 264 N HN 0.570 nan 8.380 nan 0.000 0.446 265 E N 0.673 120.909 120.200 0.060 0.000 2.265 265 E HA -0.133 4.217 4.350 -0.000 0.000 0.196 265 E C 1.453 178.082 176.600 0.048 0.000 0.996 265 E CA 0.656 57.092 56.400 0.060 0.000 0.832 265 E CB -0.014 29.730 29.700 0.072 0.000 0.756 265 E HN 0.477 nan 8.360 nan 0.000 0.491 266 L N -0.096 121.153 121.223 0.043 0.000 2.313 266 L HA 0.033 4.373 4.340 -0.000 0.000 0.214 266 L C 1.638 178.522 176.870 0.023 0.000 1.119 266 L CA 0.358 55.215 54.840 0.027 0.000 0.809 266 L CB -0.913 41.157 42.059 0.019 0.000 0.933 266 L HN 0.235 nan 8.230 nan 0.000 0.449 267 G N 0.902 109.719 108.800 0.028 0.000 2.611 267 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.301 267 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.301 267 G C 0.528 175.439 174.900 0.019 0.000 1.233 267 G CA 0.358 45.473 45.100 0.024 0.000 0.993 267 G HN 0.206 nan 8.290 nan 0.000 0.553 268 K N 1.790 122.199 120.400 0.014 0.000 2.514 268 K HA 0.282 4.602 4.320 -0.000 0.000 0.207 268 K C -0.015 176.588 176.600 0.006 0.000 1.035 268 K CA -0.167 56.127 56.287 0.011 0.000 1.113 268 K CB 0.170 32.676 32.500 0.010 0.000 0.846 268 K HN 0.488 nan 8.250 nan 0.000 0.491 269 D N 1.956 122.358 120.400 0.004 0.000 2.362 269 D HA 0.015 4.655 4.640 -0.000 0.000 0.242 269 D C 0.558 176.854 176.300 -0.006 0.000 1.132 269 D CA 0.092 54.091 54.000 -0.001 0.000 0.907 269 D CB 0.736 41.537 40.800 0.001 0.000 1.195 269 D HN 0.186 nan 8.370 nan 0.000 0.429 270 N N 0.397 119.092 118.700 -0.009 0.000 2.538 270 N HA 0.162 4.902 4.740 -0.000 0.000 0.292 270 N C 1.120 176.622 175.510 -0.014 0.000 1.262 270 N CA -0.615 52.427 53.050 -0.012 0.000 0.976 270 N CB 0.653 39.135 38.487 -0.009 0.000 1.161 270 N HN 0.116 nan 8.380 nan 0.000 0.598 271 I N -0.195 120.368 120.570 -0.013 0.000 2.151 271 I HA -0.243 3.927 4.170 -0.000 0.000 0.243 271 I C 1.743 177.867 176.117 0.013 0.000 1.080 271 I CA 1.720 63.025 61.300 0.009 0.000 1.339 271 I CB -1.190 36.832 38.000 0.036 0.000 1.039 271 I HN 0.573 nan 8.210 nan 0.000 0.409 272 E N 0.820 121.010 120.200 -0.016 0.000 2.038 272 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 272 E C 2.247 178.824 176.600 -0.039 0.000 1.000 272 E CA 1.349 57.720 56.400 -0.048 0.000 0.803 272 E CB -0.352 29.316 29.700 -0.052 0.000 0.750 272 E HN 0.556 nan 8.360 nan 0.000 0.448 273 Q N -0.146 119.639 119.800 -0.025 0.000 2.119 273 Q HA -0.074 4.266 4.340 -0.000 0.000 0.201 273 Q C 2.305 178.299 176.000 -0.010 0.000 0.972 273 Q CA 0.970 56.760 55.803 -0.022 0.000 0.847 273 Q CB -0.140 28.589 28.738 -0.015 0.000 0.903 273 Q HN 0.267 nan 8.270 nan 0.000 0.433 274 L N 0.261 121.487 121.223 0.006 0.000 2.056 274 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 274 L C 2.560 179.467 176.870 0.062 0.000 1.078 274 L CA 0.852 55.708 54.840 0.027 0.000 0.749 274 L CB -0.622 41.449 42.059 0.019 0.000 0.901 274 L HN 0.223 nan 8.230 nan 0.000 0.433 275 A N -0.303 122.568 122.820 0.085 0.000 1.883 275 A HA -0.320 4.000 4.320 -0.000 0.000 0.217 275 A C 2.213 179.783 177.584 -0.024 0.000 1.186 275 A CA 2.097 54.238 52.037 0.174 0.000 0.624 275 A CB -0.619 18.456 19.000 0.125 0.000 0.822 275 A HN 0.399 nan 8.150 nan 0.000 0.444 276 Q N 0.130 119.881 119.800 -0.082 0.000 2.096 276 Q HA -0.158 4.182 4.340 -0.000 0.000 0.204 276 Q C 1.928 177.858 176.000 -0.116 0.000 0.982 276 Q CA 2.290 58.007 55.803 -0.144 0.000 0.850 276 Q CB -0.311 28.367 28.738 -0.100 0.000 0.901 276 Q HN 0.705 nan 8.270 nan 0.000 0.422 277 K N -1.257 119.116 120.400 -0.045 0.000 2.097 277 K HA -0.032 4.288 4.320 -0.000 0.000 0.205 277 K C 1.995 178.601 176.600 0.010 0.000 1.050 277 K CA 1.052 57.331 56.287 -0.014 0.000 0.938 277 K CB -0.359 32.148 32.500 0.011 0.000 0.718 277 K HN 0.382 nan 8.250 nan 0.000 0.442 278 G N 1.788 110.621 108.800 0.056 0.000 2.408 278 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 278 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 278 G C 1.456 176.451 174.900 0.158 0.000 1.150 278 G CA 0.548 45.757 45.100 0.182 0.000 0.776 278 G HN 0.205 nan 8.290 nan 0.000 0.542 279 K N 0.277 120.531 120.400 -0.244 0.000 2.026 279 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 279 K C 2.064 178.605 176.600 -0.099 0.000 1.048 279 K CA 1.594 57.586 56.287 -0.493 0.000 0.929 279 K CB -0.135 31.797 32.500 -0.946 0.000 0.713 279 K HN 0.086 nan 8.250 nan 0.000 0.439 280 D N 0.390 120.736 120.400 -0.089 0.000 2.123 280 D HA -0.177 4.463 4.640 -0.000 0.000 0.196 280 D C 1.767 178.088 176.300 0.035 0.000 0.992 280 D CA 1.470 55.459 54.000 -0.018 0.000 0.833 280 D CB -0.306 40.478 40.800 -0.027 0.000 0.954 280 D HN 0.372 nan 8.370 nan 0.000 0.455 281 A N -0.043 122.791 122.820 0.024 0.000 1.902 281 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 281 A C 2.199 179.744 177.584 -0.064 0.000 1.181 281 A CA 1.295 53.313 52.037 -0.033 0.000 0.623 281 A CB -1.159 17.789 19.000 -0.087 0.000 0.818 281 A HN 0.308 nan 8.150 nan 0.000 0.443 282 W N -0.111 121.217 121.300 0.046 0.000 2.409 282 W HA -0.040 4.620 4.660 -0.000 0.000 0.299 282 W C 2.220 178.798 176.519 0.098 0.000 1.203 282 W CA 1.252 58.637 57.345 0.067 0.000 1.298 282 W CB -0.365 29.154 29.460 0.098 0.000 1.127 282 W HN 0.417 nan 8.180 nan 0.000 0.528 283 N N 0.014 118.911 118.700 0.328 0.000 2.223 283 N HA -0.267 4.473 4.740 -0.000 0.000 0.185 283 N C 1.681 177.354 175.510 0.273 0.000 1.016 283 N CA 1.409 54.664 53.050 0.342 0.000 0.863 283 N CB -0.261 38.384 38.487 0.263 0.000 0.983 283 N HN 0.194 nan 8.380 nan 0.000 0.429 284 Q N 1.061 120.965 119.800 0.173 0.000 2.170 284 Q HA -0.115 4.225 4.340 -0.000 0.000 0.203 284 Q C 1.739 177.820 176.000 0.135 0.000 0.976 284 Q CA 1.637 57.515 55.803 0.126 0.000 0.858 284 Q CB 0.055 28.842 28.738 0.082 0.000 0.907 284 Q HN 0.363 nan 8.270 nan 0.000 0.433 285 V N -2.588 117.416 119.914 0.151 0.000 2.795 285 V HA 0.070 4.190 4.120 -0.000 0.000 0.243 285 V C 2.181 178.429 176.094 0.256 0.000 1.069 285 V CA 0.680 63.119 62.300 0.231 0.000 1.089 285 V CB -0.682 31.185 31.823 0.073 0.000 0.756 285 V HN 0.316 nan 8.190 nan 0.000 0.471 286 L N 1.731 123.094 121.223 0.233 0.000 2.083 286 L HA 0.031 4.371 4.340 -0.000 0.000 0.209 286 L C 2.683 179.444 176.870 -0.181 0.000 1.083 286 L CA 1.728 56.682 54.840 0.190 0.000 0.752 286 L CB -1.067 41.165 42.059 0.288 0.000 0.899 286 L HN 0.524 nan 8.230 nan 0.000 0.433 287 G N -0.608 107.989 108.800 -0.339 0.000 2.625 287 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.214 287 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.214 287 G C 1.530 176.193 174.900 -0.394 0.000 1.132 287 G CA 0.056 44.600 45.100 -0.926 0.000 0.782 287 G HN 0.131 nan 8.290 nan 0.000 0.538 288 K N 0.066 120.389 120.400 -0.129 0.000 2.362 288 K HA 0.105 4.425 4.320 -0.000 0.000 0.200 288 K C 0.565 177.101 176.600 -0.107 0.000 1.046 288 K CA 0.413 56.672 56.287 -0.048 0.000 0.952 288 K CB 0.183 32.640 32.500 -0.073 0.000 0.753 288 K HN 0.377 nan 8.250 nan 0.000 0.466 289 I N 1.969 122.457 120.570 -0.136 0.000 2.521 289 I HA 0.147 4.317 4.170 -0.000 0.000 0.277 289 I C -0.653 175.368 176.117 -0.159 0.000 1.054 289 I CA -0.431 60.794 61.300 -0.124 0.000 1.117 289 I CB 1.490 39.508 38.000 0.030 0.000 1.217 289 I HN -0.136 nan 8.210 nan 0.000 0.469 290 E N 5.615 125.700 120.200 -0.191 0.000 2.249 290 E HA 0.504 4.854 4.350 -0.000 0.000 0.280 290 E C -0.597 175.892 176.600 -0.185 0.000 1.016 290 E CA -0.688 55.653 56.400 -0.098 0.000 0.830 290 E CB 2.634 32.381 29.700 0.078 0.000 1.081 290 E HN 0.419 nan 8.360 nan 0.000 0.395 291 V N -0.246 119.513 119.914 -0.257 0.000 2.769 291 V HA 0.639 4.759 4.120 -0.000 0.000 0.312 291 V C -0.593 175.290 176.094 -0.351 0.000 1.061 291 V CA -0.744 61.203 62.300 -0.589 0.000 0.931 291 V CB 1.778 32.669 31.823 -1.553 0.000 1.010 291 V HN 0.725 nan 8.190 nan 0.000 0.433 292 E N 1.739 121.831 120.200 -0.180 0.000 2.446 292 E HA 0.712 5.062 4.350 -0.000 0.000 0.276 292 E C 0.166 176.904 176.600 0.229 0.000 0.969 292 E CA -0.837 55.602 56.400 0.065 0.000 0.800 292 E CB 1.876 31.603 29.700 0.045 0.000 1.341 292 E HN 1.728 nan 8.360 nan 0.000 0.460 293 G N -0.012 108.961 108.800 0.288 0.000 2.289 293 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.280 293 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.280 293 G C 0.031 175.074 174.900 0.238 0.000 1.089 293 G CA 0.070 45.300 45.100 0.216 0.000 0.939 293 G HN 0.760 nan 8.290 nan 0.000 0.499 294 G N -0.589 108.340 108.800 0.215 0.000 2.766 294 G HA2 0.796 4.756 3.960 -0.000 0.000 0.288 294 G HA3 0.796 4.756 3.960 -0.000 0.000 0.288 294 G C -0.328 174.338 174.900 -0.390 0.000 1.408 294 G CA -0.069 44.998 45.100 -0.054 0.000 0.852 294 G HN 1.047 nan 8.290 nan 0.000 0.487 295 N N -1.060 117.414 118.700 -0.377 0.000 2.476 295 N HA 0.311 5.051 4.740 -0.000 0.000 0.275 295 N C 1.167 176.406 175.510 -0.451 0.000 1.190 295 N CA -0.796 52.068 53.050 -0.312 0.000 0.977 295 N CB 1.367 39.764 38.487 -0.151 0.000 1.200 295 N HN 0.366 nan 8.380 nan 0.000 0.515 296 L N -0.146 120.975 121.223 -0.170 0.000 2.127 296 L HA -0.114 4.226 4.340 -0.000 0.000 0.211 296 L C 0.933 177.823 176.870 0.033 0.000 1.089 296 L CA 1.871 56.721 54.840 0.017 0.000 0.757 296 L CB -0.910 41.235 42.059 0.144 0.000 0.899 296 L HN 0.602 nan 8.230 nan 0.000 0.434 297 D N -0.764 119.629 120.400 -0.012 0.000 2.144 297 D HA -0.197 4.443 4.640 -0.000 0.000 0.199 297 D C 2.160 178.483 176.300 0.040 0.000 0.984 297 D CA 1.340 55.352 54.000 0.020 0.000 0.834 297 D CB -0.046 40.751 40.800 -0.005 0.000 0.955 297 D HN 0.565 nan 8.370 nan 0.000 0.465 298 Q N -0.632 119.156 119.800 -0.020 0.000 2.083 298 Q HA -0.140 4.200 4.340 -0.000 0.000 0.198 298 Q C 2.101 178.299 176.000 0.329 0.000 0.969 298 Q CA 0.794 56.656 55.803 0.098 0.000 0.838 298 Q CB -0.163 28.525 28.738 -0.083 0.000 0.900 298 Q HN 0.347 nan 8.270 nan 0.000 0.436 299 Y N 1.090 121.511 120.300 0.203 0.000 2.081 299 Y HA -0.226 4.324 4.550 -0.000 0.000 0.280 299 Y C 2.341 178.339 175.900 0.164 0.000 1.163 299 Y CA 1.192 59.303 58.100 0.018 0.000 1.135 299 Y CB -0.578 37.572 38.460 -0.517 0.000 0.970 299 Y HN 0.045 nan 8.280 nan 0.000 0.498 300 R N -0.745 119.953 120.500 0.330 0.000 2.073 300 R HA -0.131 4.209 4.340 -0.000 0.000 0.234 300 R C 2.203 178.633 176.300 0.217 0.000 1.134 300 R CA 2.025 58.319 56.100 0.323 0.000 0.952 300 R CB -0.826 29.616 30.300 0.237 0.000 0.850 300 R HN 0.283 nan 8.270 nan 0.000 0.433 301 T N 0.904 115.532 114.554 0.123 0.000 2.720 301 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 301 T C 1.437 176.107 174.700 -0.050 0.000 1.037 301 T CA 1.446 63.498 62.100 -0.081 0.000 1.144 301 T CB -0.354 68.366 68.868 -0.247 0.000 0.864 301 T HN 0.182 nan 8.240 nan 0.000 0.444 302 F N 0.681 120.680 119.950 0.083 0.000 2.113 302 F HA -0.072 4.455 4.527 -0.000 0.000 0.297 302 F C 1.973 177.727 175.800 -0.077 0.000 1.103 302 F CA 1.086 59.154 58.000 0.113 0.000 1.248 302 F CB -0.315 38.742 39.000 0.094 0.000 0.999 302 F HN 0.105 nan 8.300 nan 0.000 0.475 303 Y N -0.239 120.257 120.300 0.325 0.000 2.395 303 Y HA -0.081 4.469 4.550 -0.000 0.000 0.293 303 Y C 2.714 178.698 175.900 0.140 0.000 1.123 303 Y CA 1.211 59.447 58.100 0.226 0.000 1.227 303 Y CB -0.978 37.717 38.460 0.392 0.000 1.012 303 Y HN -0.009 nan 8.280 nan 0.000 0.552 304 S N -1.045 114.800 115.700 0.242 0.000 2.368 304 S HA -0.212 4.258 4.470 -0.000 0.000 0.225 304 S C 2.241 176.972 174.600 0.219 0.000 1.030 304 S CA 1.399 59.724 58.200 0.208 0.000 0.999 304 S CB -0.800 62.475 63.200 0.125 0.000 0.844 304 S HN 0.529 nan 8.310 nan 0.000 0.459 305 C N 0.938 120.281 119.300 0.071 0.000 2.429 305 C HA 0.021 4.481 4.460 -0.000 0.000 0.277 305 C C 2.516 177.522 174.990 0.028 0.000 1.262 305 C CA 0.493 59.555 59.018 0.074 0.000 1.733 305 C CB -1.268 26.459 27.740 -0.022 0.000 2.010 305 C HN 0.520 nan 8.230 nan 0.000 0.483 306 L N 0.462 121.631 121.223 -0.090 0.000 2.046 306 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 306 L C 2.321 179.256 176.870 0.109 0.000 1.077 306 L CA 2.072 56.878 54.840 -0.056 0.000 0.747 306 L CB -1.315 40.682 42.059 -0.103 0.000 0.896 306 L HN 0.573 nan 8.230 nan 0.000 0.432 307 Y N 0.122 120.447 120.300 0.041 0.000 2.165 307 Y HA -0.221 4.329 4.550 -0.000 0.000 0.286 307 Y C 2.361 178.262 175.900 0.002 0.000 1.155 307 Y CA 1.629 59.725 58.100 -0.006 0.000 1.164 307 Y CB -0.332 37.983 38.460 -0.242 0.000 0.978 307 Y HN 0.073 nan 8.280 nan 0.000 0.513 308 R N 0.333 120.676 120.500 -0.263 0.000 2.237 308 R HA -0.030 4.310 4.340 -0.000 0.000 0.219 308 R C 1.707 177.944 176.300 -0.105 0.000 1.080 308 R CA 1.070 56.983 56.100 -0.313 0.000 0.995 308 R CB -0.661 29.618 30.300 -0.035 0.000 0.875 308 R HN 0.378 nan 8.270 nan 0.000 0.462 309 S N 0.379 116.053 115.700 -0.044 0.000 2.575 309 S HA 0.212 4.682 4.470 -0.000 0.000 0.215 309 S C 1.148 175.720 174.600 -0.046 0.000 0.966 309 S CA 0.053 58.263 58.200 0.017 0.000 0.911 309 S CB 0.300 63.531 63.200 0.051 0.000 0.780 309 S HN 0.181 nan 8.310 nan 0.000 0.514 310 L N 0.762 121.854 121.223 -0.218 0.000 3.202 310 L HA 0.420 4.760 4.340 -0.000 0.000 0.278 310 L C 0.638 176.943 176.870 -0.942 0.000 1.268 310 L CA 0.151 54.584 54.840 -0.679 0.000 1.034 310 L CB 0.127 41.691 42.059 -0.826 0.000 1.407 310 L HN 0.232 nan 8.230 nan 0.000 0.581 311 L N -1.381 119.610 121.223 -0.388 0.000 2.445 311 L HA 0.318 4.658 4.340 -0.000 0.000 0.207 311 L C 0.291 177.099 176.870 -0.104 0.000 1.053 311 L CA 0.459 55.100 54.840 -0.330 0.000 0.841 311 L CB 0.323 42.104 42.059 -0.463 0.000 1.074 311 L HN 0.054 nan 8.230 nan 0.000 0.479 312 F N 0.082 120.210 119.950 0.297 0.000 2.572 312 F HA 0.458 4.985 4.527 -0.000 0.000 0.342 312 F C -1.836 174.172 175.800 0.347 0.000 1.064 312 F CA -2.507 55.707 58.000 0.355 0.000 1.008 312 F CB 0.011 39.162 39.000 0.251 0.000 1.303 312 F HN -0.245 nan 8.300 nan 0.000 0.492 313 P HA -0.087 nan 4.420 nan 0.000 0.267 313 P C -0.987 176.721 177.300 0.679 0.000 1.175 313 P CA 0.034 63.505 63.100 0.619 0.000 0.763 313 P CB 0.538 32.563 31.700 0.543 0.000 0.795 314 R N 1.706 122.532 120.500 0.544 0.000 2.528 314 R HA 0.374 4.714 4.340 -0.000 0.000 0.271 314 R C -0.025 176.471 176.300 0.326 0.000 1.056 314 R CA -0.915 55.435 56.100 0.417 0.000 1.117 314 R CB 0.689 31.087 30.300 0.163 0.000 1.085 314 R HN 0.300 nan 8.270 nan 0.000 0.530 315 K N 1.332 121.752 120.400 0.034 0.000 2.448 315 K HA -0.014 4.306 4.320 -0.000 0.000 0.278 315 K C -0.558 175.961 176.600 -0.135 0.000 1.009 315 K CA 0.295 56.263 56.287 -0.533 0.000 0.995 315 K CB 0.352 32.520 32.500 -0.554 0.000 0.917 315 K HN 0.508 nan 8.250 nan 0.000 0.481 316 F N 3.822 123.610 119.950 -0.270 0.000 2.814 316 F HA 0.167 4.694 4.527 -0.000 0.000 0.326 316 F C -0.935 174.931 175.800 0.111 0.000 1.159 316 F CA -0.709 57.271 58.000 -0.032 0.000 1.234 316 F CB 0.409 39.401 39.000 -0.013 0.000 1.016 316 F HN 0.475 nan 8.300 nan 0.000 0.510 317 Y N -1.178 119.138 120.300 0.027 0.000 2.598 317 Y HA 0.834 5.384 4.550 -0.000 0.000 0.340 317 Y C -0.847 175.102 175.900 0.081 0.000 1.038 317 Y CA -1.453 56.710 58.100 0.105 0.000 1.100 317 Y CB 0.929 39.471 38.460 0.136 0.000 1.281 317 Y HN 0.029 nan 8.280 nan 0.000 0.488 318 E N 1.450 121.809 120.200 0.265 0.000 2.367 318 E HA 0.420 4.770 4.350 -0.000 0.000 0.273 318 E C -1.822 174.903 176.600 0.209 0.000 0.903 318 E CA -1.220 55.269 56.400 0.148 0.000 0.764 318 E CB 2.611 32.372 29.700 0.101 0.000 1.252 318 E HN 0.400 nan 8.360 nan 0.000 0.446 319 L N 2.941 124.259 121.223 0.158 0.000 2.305 319 L HA 0.199 4.539 4.340 -0.000 0.000 0.281 319 L C 0.179 177.105 176.870 0.093 0.000 1.085 319 L CA -0.061 54.865 54.840 0.144 0.000 0.813 319 L CB 0.295 42.435 42.059 0.136 0.000 1.157 319 L HN 0.604 nan 8.230 nan 0.000 0.436 320 D N 2.294 122.739 120.400 0.074 0.000 2.511 320 D HA 0.304 4.944 4.640 -0.000 0.000 0.276 320 D C 1.040 177.367 176.300 0.044 0.000 1.220 320 D CA 0.041 54.070 54.000 0.049 0.000 1.077 320 D CB 0.441 41.261 40.800 0.034 0.000 1.126 320 D HN 0.432 nan 8.370 nan 0.000 0.583 321 A N -0.443 122.396 122.820 0.032 0.000 1.978 321 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 321 A C 1.458 179.060 177.584 0.031 0.000 1.170 321 A CA 1.288 53.342 52.037 0.030 0.000 0.636 321 A CB -0.741 18.272 19.000 0.022 0.000 0.810 321 A HN 0.557 nan 8.150 nan 0.000 0.448 322 N N -0.833 117.885 118.700 0.029 0.000 2.276 322 N HA 0.208 4.948 4.740 -0.000 0.000 0.212 322 N C 1.021 176.553 175.510 0.037 0.000 1.127 322 N CA 0.841 53.908 53.050 0.029 0.000 0.834 322 N CB 0.390 38.890 38.487 0.021 0.000 1.014 322 N HN 0.589 nan 8.380 nan 0.000 0.491 323 G N 0.715 109.544 108.800 0.048 0.000 2.168 323 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.257 323 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.257 323 G C -0.041 174.896 174.900 0.062 0.000 0.997 323 G CA 0.135 45.274 45.100 0.064 0.000 0.708 323 G HN 0.225 nan 8.290 nan 0.000 0.520 324 Q N 0.485 120.308 119.800 0.038 0.000 2.259 324 Q HA 0.418 4.758 4.340 -0.000 0.000 0.249 324 Q C -2.108 173.892 176.000 0.000 0.000 0.914 324 Q CA -2.243 53.562 55.803 0.004 0.000 0.904 324 Q CB 1.347 30.078 28.738 -0.012 0.000 1.213 324 Q HN 0.333 nan 8.270 nan 0.000 0.428 325 P HA 0.208 nan 4.420 nan 0.000 0.271 325 P C -0.440 176.838 177.300 -0.037 0.000 1.216 325 P CA 0.067 63.108 63.100 -0.097 0.000 0.771 325 P CB 0.533 31.838 31.700 -0.658 0.000 0.864 326 I N 0.288 120.925 120.570 0.112 0.000 3.191 326 I HA 0.679 4.849 4.170 -0.000 0.000 0.313 326 I C -0.839 175.426 176.117 0.246 0.000 1.193 326 I CA -1.097 60.263 61.300 0.100 0.000 0.968 326 I CB 2.735 40.754 38.000 0.031 0.000 1.262 326 I HN 0.430 nan 8.210 nan 0.000 0.456 327 H N 0.921 120.084 119.070 0.154 0.000 3.046 327 H HA 0.328 4.884 4.556 -0.000 0.000 0.361 327 H C -2.256 173.218 175.328 0.244 0.000 1.235 327 H CA -0.765 55.415 56.048 0.220 0.000 1.146 327 H CB 1.360 31.295 29.762 0.289 0.000 1.859 327 H HN 0.810 nan 8.280 nan 0.000 0.548 328 Y N 1.943 122.398 120.300 0.259 0.000 2.377 328 Y HA 0.260 4.810 4.550 -0.000 0.000 0.330 328 Y C 0.159 176.305 175.900 0.411 0.000 1.108 328 Y CA -0.096 58.150 58.100 0.243 0.000 1.308 328 Y CB 1.139 39.751 38.460 0.253 0.000 1.216 328 Y HN 0.652 nan 8.280 nan 0.000 0.518 329 S N 8.249 123.768 115.700 -0.303 0.000 2.416 329 S HA 0.286 4.756 4.470 -0.000 0.000 0.287 329 S C -1.869 172.336 174.600 -0.659 0.000 1.139 329 S CA -1.551 56.531 58.200 -0.197 0.000 1.058 329 S CB 0.503 63.674 63.200 -0.048 0.000 0.967 329 S HN 0.655 nan 8.310 nan 0.000 0.495 330 P HA 0.070 nan 4.420 nan 0.000 0.242 330 P C -0.026 176.850 177.300 -0.706 0.000 1.197 330 P CA 0.559 63.265 63.100 -0.658 0.000 0.765 330 P CB -0.076 31.076 31.700 -0.912 0.000 0.936 331 Y N 0.801 120.949 120.300 -0.253 0.000 2.441 331 Y HA 0.064 4.614 4.550 0.000 0.000 0.288 331 Y C 1.787 177.624 175.900 -0.104 0.000 1.118 331 Y CA 1.048 59.041 58.100 -0.179 0.000 1.215 331 Y CB -0.568 37.798 38.460 -0.156 0.000 1.118 331 Y HN 0.097 nan 8.280 nan 0.000 0.547 332 N N -1.715 116.994 118.700 0.015 0.000 2.118 332 N HA 0.189 4.929 4.740 -0.000 0.000 0.226 332 N C 1.184 176.667 175.510 -0.046 0.000 1.305 332 N CA 0.507 53.560 53.050 0.005 0.000 0.890 332 N CB 0.570 39.073 38.487 0.027 0.000 1.118 332 N HN 0.212 nan 8.380 nan 0.000 0.511 333 G N 0.068 108.755 108.800 -0.189 0.000 2.168 333 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.263 333 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.263 333 G C -0.270 174.622 174.900 -0.013 0.000 0.977 333 G CA 0.748 45.736 45.100 -0.187 0.000 0.659 333 G HN 0.554 nan 8.290 nan 0.000 0.533 334 Q N -0.853 118.917 119.800 -0.050 0.000 2.256 334 Q HA 0.604 4.944 4.340 -0.000 0.000 0.232 334 Q C 0.097 176.103 176.000 0.009 0.000 0.965 334 Q CA -0.680 55.130 55.803 0.012 0.000 0.908 334 Q CB 1.923 30.656 28.738 -0.008 0.000 1.209 334 Q HN 0.170 nan 8.270 nan 0.000 0.489 335 V N 2.678 122.613 119.914 0.035 0.000 2.370 335 V HA 0.389 4.509 4.120 -0.000 0.000 0.279 335 V C -0.276 175.753 176.094 -0.108 0.000 1.029 335 V CA -0.321 61.980 62.300 0.002 0.000 0.870 335 V CB 0.386 32.241 31.823 0.053 0.000 0.984 335 V HN 0.505 nan 8.190 nan 0.000 0.451 336 L N 6.654 127.701 121.223 -0.293 0.000 2.350 336 L HA 0.641 4.981 4.340 -0.000 0.000 0.260 336 L C -2.476 174.188 176.870 -0.343 0.000 1.015 336 L CA -2.106 52.556 54.840 -0.296 0.000 0.821 336 L CB 3.044 44.946 42.059 -0.262 0.000 1.370 336 L HN 0.374 nan 8.230 nan 0.000 0.416 337 P HA 0.320 nan 4.420 nan 0.000 0.274 337 P C -0.108 177.213 177.300 0.035 0.000 1.231 337 P CA 0.310 63.374 63.100 -0.059 0.000 0.790 337 P CB 1.111 32.790 31.700 -0.034 0.000 0.951 338 G N 0.407 109.214 108.800 0.011 0.000 2.612 338 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.686 338 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.686 338 G C -1.270 173.631 174.900 0.001 0.000 1.274 338 G CA -0.995 44.081 45.100 -0.040 0.000 0.849 338 G HN 0.297 nan 8.290 nan 0.000 0.595 339 Y N -0.784 119.519 120.300 0.006 0.000 2.511 339 Y HA 0.570 5.120 4.550 -0.000 0.000 0.347 339 Y C 1.027 176.892 175.900 -0.058 0.000 1.257 339 Y CA 0.843 58.884 58.100 -0.098 0.000 1.469 339 Y CB 1.091 39.544 38.460 -0.012 0.000 1.353 339 Y HN 0.880 nan 8.280 nan 0.000 0.617 340 M N 2.671 122.424 119.600 0.255 0.000 2.325 340 M HA 0.529 5.009 4.480 -0.000 0.000 0.285 340 M C -2.432 174.092 176.300 0.374 0.000 1.119 340 M CA -0.596 54.810 55.300 0.177 0.000 0.959 340 M CB 1.033 33.470 32.600 -0.271 0.000 1.737 340 M HN 0.367 nan 8.290 nan 0.000 0.486 341 F N 0.946 121.061 119.950 0.274 0.000 2.631 341 F HA 0.946 5.473 4.527 -0.000 0.000 0.328 341 F C 0.290 176.198 175.800 0.181 0.000 1.067 341 F CA -0.408 57.770 58.000 0.296 0.000 0.969 341 F CB 2.471 41.643 39.000 0.287 0.000 1.332 341 F HN 0.669 nan 8.300 nan 0.000 0.490 342 T N -1.177 113.600 114.554 0.372 0.000 2.665 342 T HA 0.370 4.720 4.350 -0.000 0.000 0.303 342 T C -2.017 172.859 174.700 0.294 0.000 1.334 342 T CA -0.469 61.733 62.100 0.171 0.000 1.011 342 T CB 1.011 69.751 68.868 -0.214 0.000 1.573 342 T HN 0.615 nan 8.240 nan 0.000 0.492 343 D N 0.735 121.284 120.400 0.248 0.000 2.760 343 D HA -0.090 4.550 4.640 -0.000 0.000 0.244 343 D C -0.558 175.920 176.300 0.297 0.000 1.096 343 D CA 1.469 55.712 54.000 0.405 0.000 0.716 343 D CB -1.348 39.801 40.800 0.583 0.000 1.075 343 D HN 0.628 nan 8.370 nan 0.000 0.434 344 T N -1.192 113.332 114.554 -0.051 0.000 2.923 344 T HA 0.630 4.980 4.350 -0.000 0.000 0.311 344 T C -0.440 173.543 174.700 -1.196 0.000 1.183 344 T CA 0.037 61.911 62.100 -0.376 0.000 1.020 344 T CB 1.778 70.682 68.868 0.060 0.000 1.165 344 T HN 0.160 nan 8.240 nan 0.000 0.482 345 G N 2.396 110.309 108.800 -1.479 0.000 2.422 345 G HA2 0.546 4.506 3.960 -0.000 0.000 0.317 345 G HA3 0.546 4.506 3.960 -0.000 0.000 0.317 345 G C 0.337 174.980 174.900 -0.428 0.000 1.210 345 G CA -0.536 43.497 45.100 -1.779 0.000 0.930 345 G HN 0.600 nan 8.290 nan 0.000 0.468 346 F N 1.065 120.922 119.950 -0.154 0.000 2.234 346 F HA 0.069 4.596 4.527 0.000 0.000 0.299 346 F C 2.041 178.025 175.800 0.305 0.000 1.087 346 F CA -0.186 57.867 58.000 0.089 0.000 1.340 346 F CB -0.400 38.630 39.000 0.049 0.000 1.031 346 F HN 0.752 nan 8.300 nan 0.000 0.500 347 W N 1.660 123.153 121.300 0.322 0.000 2.331 347 W HA -0.235 4.425 4.660 0.000 0.000 0.291 347 W C 1.865 178.583 176.519 0.332 0.000 1.214 347 W CA 1.986 59.570 57.345 0.397 0.000 1.228 347 W CB -0.212 29.439 29.460 0.319 0.000 1.135 347 W HN -0.085 nan 8.180 nan 0.000 0.537 348 D N -1.350 119.255 120.400 0.342 0.000 2.144 348 D HA -0.105 4.535 4.640 -0.000 0.000 0.207 348 D C 2.154 178.442 176.300 -0.021 0.000 0.970 348 D CA 2.508 56.567 54.000 0.098 0.000 0.853 348 D CB -0.752 40.182 40.800 0.223 0.000 1.007 348 D HN 0.233 nan 8.370 nan 0.000 0.469 349 T N -0.913 113.740 114.554 0.165 0.000 3.107 349 T HA 0.022 4.372 4.350 -0.000 0.000 0.249 349 T C 1.827 176.702 174.700 0.293 0.000 1.096 349 T CA -0.271 61.976 62.100 0.245 0.000 1.012 349 T CB -0.677 68.445 68.868 0.423 0.000 0.977 349 T HN 0.202 nan 8.240 nan 0.000 0.527 350 F N 2.193 122.228 119.950 0.142 0.000 2.325 350 F HA 0.244 4.771 4.527 -0.000 0.000 0.299 350 F C 2.225 178.002 175.800 -0.037 0.000 1.090 350 F CA -0.155 57.846 58.000 0.001 0.000 1.392 350 F CB -0.401 38.536 39.000 -0.104 0.000 1.053 350 F HN -0.050 nan 8.300 nan 0.000 0.521 351 R N 0.612 120.538 120.500 -0.957 0.000 2.070 351 R HA -0.095 4.245 4.340 -0.000 0.000 0.233 351 R C 1.886 177.971 176.300 -0.358 0.000 1.137 351 R CA 1.949 57.523 56.100 -0.876 0.000 0.945 351 R CB -0.920 28.940 30.300 -0.733 0.000 0.845 351 R HN 0.653 nan 8.270 nan 0.000 0.430 352 C N -2.833 116.383 119.300 -0.140 0.000 4.403 352 C HA 0.331 4.791 4.460 -0.000 0.000 0.408 352 C C 1.945 177.057 174.990 0.203 0.000 1.714 352 C CA -0.827 58.147 59.018 -0.074 0.000 2.002 352 C CB -0.545 27.066 27.740 -0.215 0.000 3.129 352 C HN 0.349 nan 8.230 nan 0.000 0.662 353 L N 0.974 122.309 121.223 0.187 0.000 2.027 353 L HA 0.111 4.451 4.340 -0.000 0.000 0.206 353 L C 2.153 179.106 176.870 0.139 0.000 1.074 353 L CA 2.296 57.242 54.840 0.176 0.000 0.745 353 L CB -1.047 41.085 42.059 0.121 0.000 0.898 353 L HN 0.374 nan 8.230 nan 0.000 0.433 354 F N 0.498 120.540 119.950 0.153 0.000 2.206 354 F HA -0.022 4.505 4.527 -0.000 0.000 0.298 354 F C -0.308 175.585 175.800 0.156 0.000 1.090 354 F CA 1.045 59.124 58.000 0.131 0.000 1.323 354 F CB -1.680 37.349 39.000 0.049 0.000 1.028 354 F HN 0.174 nan 8.300 nan 0.000 0.492 355 P HA -0.207 nan 4.420 nan 0.000 0.216 355 P C 1.895 179.491 177.300 0.493 0.000 1.150 355 P CA 1.176 64.459 63.100 0.306 0.000 0.843 355 P CB -0.022 31.761 31.700 0.139 0.000 0.787 356 L N -0.949 120.593 121.223 0.532 0.000 2.046 356 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 356 L C 2.117 179.203 176.870 0.360 0.000 1.077 356 L CA 1.754 56.832 54.840 0.396 0.000 0.747 356 L CB -1.330 40.852 42.059 0.205 0.000 0.896 356 L HN -0.109 nan 8.230 nan 0.000 0.432 357 L N -0.661 120.764 121.223 0.337 0.000 2.046 357 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 357 L C 2.135 179.204 176.870 0.331 0.000 1.077 357 L CA 1.879 56.935 54.840 0.359 0.000 0.747 357 L CB -0.825 41.337 42.059 0.172 0.000 0.896 357 L HN 0.414 nan 8.230 nan 0.000 0.432 358 N N -0.254 118.635 118.700 0.314 0.000 2.309 358 N HA -0.179 4.561 4.740 -0.000 0.000 0.182 358 N C 1.720 177.505 175.510 0.459 0.000 1.018 358 N CA 0.554 53.785 53.050 0.302 0.000 0.876 358 N CB 0.018 38.626 38.487 0.202 0.000 0.972 358 N HN 0.144 nan 8.380 nan 0.000 0.434 359 L N 0.057 121.571 121.223 0.485 0.000 2.068 359 L HA 0.072 4.412 4.340 -0.000 0.000 0.204 359 L C 1.516 178.666 176.870 0.468 0.000 1.076 359 L CA 1.631 56.785 54.840 0.523 0.000 0.753 359 L CB 0.001 42.319 42.059 0.432 0.000 0.910 359 L HN 0.151 nan 8.230 nan 0.000 0.439 360 M N -2.380 117.331 119.600 0.185 0.000 2.338 360 M HA 0.197 4.677 4.480 -0.000 0.000 0.276 360 M C -0.242 175.743 176.300 -0.525 0.000 1.057 360 M CA 0.455 55.620 55.300 -0.225 0.000 1.079 360 M CB 0.162 32.393 32.600 -0.614 0.000 1.547 360 M HN 0.144 nan 8.290 nan 0.000 0.549 361 Y N -0.141 120.285 120.300 0.209 0.000 2.624 361 Y HA 0.316 4.866 4.550 0.000 0.000 0.302 361 Y C -1.782 174.162 175.900 0.073 0.000 0.939 361 Y CA -1.708 56.477 58.100 0.141 0.000 1.116 361 Y CB -0.205 38.362 38.460 0.179 0.000 1.173 361 Y HN 0.021 nan 8.280 nan 0.000 0.631 362 P HA -0.147 nan 4.420 nan 0.000 0.218 362 P C 1.462 178.793 177.300 0.052 0.000 1.149 362 P CA 1.740 64.923 63.100 0.139 0.000 0.817 362 P CB 0.264 32.073 31.700 0.181 0.000 0.785 363 S N -0.023 115.705 115.700 0.046 0.000 2.370 363 S HA -0.122 4.348 4.470 -0.000 0.000 0.226 363 S C 2.112 176.664 174.600 -0.081 0.000 1.033 363 S CA 1.558 59.757 58.200 -0.003 0.000 1.011 363 S CB -1.875 61.340 63.200 0.025 0.000 0.852 363 S HN -0.006 nan 8.310 nan 0.000 0.457 364 V N 2.987 122.829 119.914 -0.120 0.000 2.358 364 V HA -0.113 4.007 4.120 -0.000 0.000 0.246 364 V C 2.613 178.481 176.094 -0.376 0.000 1.047 364 V CA 1.899 63.995 62.300 -0.340 0.000 1.035 364 V CB -1.090 30.319 31.823 -0.691 0.000 0.658 364 V HN 0.471 nan 8.190 nan 0.000 0.452 365 N N 0.631 119.199 118.700 -0.219 0.000 2.309 365 N HA -0.170 4.569 4.740 -0.000 0.000 0.182 365 N C 1.710 177.122 175.510 -0.164 0.000 1.018 365 N CA 1.218 54.172 53.050 -0.162 0.000 0.876 365 N CB -0.211 38.287 38.487 0.019 0.000 0.972 365 N HN 0.417 nan 8.380 nan 0.000 0.434 366 K N 1.343 121.659 120.400 -0.141 0.000 2.032 366 K HA -0.078 4.242 4.320 -0.000 0.000 0.209 366 K C 1.699 178.175 176.600 -0.207 0.000 1.048 366 K CA 1.545 57.755 56.287 -0.128 0.000 0.927 366 K CB -0.328 32.116 32.500 -0.093 0.000 0.712 366 K HN 0.268 nan 8.250 nan 0.000 0.441 367 E N -0.296 119.695 120.200 -0.348 0.000 2.085 367 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 367 E C 2.071 178.461 176.600 -0.350 0.000 0.994 367 E CA 1.784 57.855 56.400 -0.548 0.000 0.801 367 E CB -0.142 29.238 29.700 -0.533 0.000 0.743 367 E HN 0.380 nan 8.360 nan 0.000 0.453 368 M N 0.296 119.534 119.600 -0.603 0.000 2.175 368 M HA -0.176 4.304 4.480 -0.000 0.000 0.264 368 M C 2.258 178.468 176.300 -0.151 0.000 1.063 368 M CA 1.110 56.012 55.300 -0.664 0.000 1.119 368 M CB -0.036 32.190 32.600 -0.623 0.000 1.377 368 M HN 0.002 nan 8.290 nan 0.000 0.415 369 Q N 0.421 120.153 119.800 -0.113 0.000 2.046 369 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 369 Q C 1.935 177.963 176.000 0.046 0.000 0.975 369 Q CA 1.248 57.025 55.803 -0.043 0.000 0.836 369 Q CB -0.473 28.228 28.738 -0.061 0.000 0.896 369 Q HN 0.504 nan 8.270 nan 0.000 0.428 370 E N 0.085 120.321 120.200 0.061 0.000 2.118 370 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 370 E C 2.006 178.735 176.600 0.215 0.000 0.992 370 E CA 1.225 57.718 56.400 0.154 0.000 0.804 370 E CB -0.389 29.442 29.700 0.218 0.000 0.741 370 E HN 0.484 nan 8.360 nan 0.000 0.458 371 G N 1.364 110.312 108.800 0.247 0.000 2.418 371 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 371 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 371 G C 1.753 176.803 174.900 0.250 0.000 1.158 371 G CA 0.527 45.807 45.100 0.301 0.000 0.771 371 G HN 0.172 nan 8.290 nan 0.000 0.545 372 L N 0.394 121.764 121.223 0.245 0.000 2.083 372 L HA -0.079 4.261 4.340 -0.000 0.000 0.209 372 L C 2.820 179.942 176.870 0.419 0.000 1.083 372 L CA 0.430 55.466 54.840 0.326 0.000 0.752 372 L CB -0.383 41.817 42.059 0.236 0.000 0.899 372 L HN 0.130 nan 8.230 nan 0.000 0.433 373 I N 0.254 121.026 120.570 0.336 0.000 2.208 373 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 373 I C 2.062 178.290 176.117 0.185 0.000 1.097 373 I CA 1.778 63.249 61.300 0.285 0.000 1.363 373 I CB -1.330 36.792 38.000 0.204 0.000 1.051 373 I HN 0.389 nan 8.210 nan 0.000 0.413 374 N N -0.115 118.686 118.700 0.168 0.000 2.188 374 N HA -0.141 4.599 4.740 -0.000 0.000 0.184 374 N C 1.679 177.221 175.510 0.054 0.000 1.018 374 N CA 1.639 54.768 53.050 0.132 0.000 0.858 374 N CB -0.044 38.546 38.487 0.172 0.000 0.989 374 N HN 0.309 nan 8.380 nan 0.000 0.426 375 T N -0.011 114.556 114.554 0.023 0.000 2.720 375 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 375 T C 1.570 176.091 174.700 -0.298 0.000 1.037 375 T CA 1.114 63.053 62.100 -0.269 0.000 1.144 375 T CB -0.459 68.285 68.868 -0.205 0.000 0.864 375 T HN 0.335 nan 8.240 nan 0.000 0.444 376 Y N 1.674 121.786 120.300 -0.313 0.000 2.181 376 Y HA -0.047 4.503 4.550 -0.000 0.000 0.288 376 Y C 1.992 177.694 175.900 -0.329 0.000 1.146 376 Y CA 1.055 58.861 58.100 -0.491 0.000 1.164 376 Y CB -0.517 37.370 38.460 -0.956 0.000 0.982 376 Y HN 0.133 nan 8.280 nan 0.000 0.515 377 L N -0.169 120.900 121.223 -0.258 0.000 2.083 377 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 377 L C 2.021 178.751 176.870 -0.233 0.000 1.083 377 L CA 1.835 56.522 54.840 -0.254 0.000 0.752 377 L CB -0.436 41.587 42.059 -0.060 0.000 0.899 377 L HN 0.279 nan 8.230 nan 0.000 0.433 378 E N -0.863 119.243 120.200 -0.158 0.000 2.385 378 E HA -0.059 4.291 4.350 -0.000 0.000 0.194 378 E C 1.930 178.482 176.600 -0.080 0.000 1.013 378 E CA 0.984 57.341 56.400 -0.072 0.000 0.866 378 E CB 0.275 30.007 29.700 0.054 0.000 0.832 378 E HN 0.479 nan 8.360 nan 0.000 0.500 379 S N -1.759 113.835 115.700 -0.177 0.000 2.575 379 S HA 0.334 4.804 4.470 -0.000 0.000 0.230 379 S C 1.699 176.297 174.600 -0.003 0.000 1.062 379 S CA 0.216 58.407 58.200 -0.015 0.000 0.913 379 S CB 1.025 64.207 63.200 -0.030 0.000 0.837 379 S HN 0.300 nan 8.310 nan 0.000 0.487 380 G N 0.659 109.248 108.800 -0.352 0.000 2.234 380 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.235 380 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.235 380 G C -0.132 174.322 174.900 -0.744 0.000 0.997 380 G CA 0.141 44.864 45.100 -0.628 0.000 0.623 380 G HN 0.489 nan 8.290 nan 0.000 0.514 381 F N -0.429 119.409 119.950 -0.186 0.000 2.603 381 F HA 0.805 5.332 4.527 -0.000 0.000 0.317 381 F C 0.111 175.964 175.800 0.089 0.000 1.066 381 F CA -1.520 56.513 58.000 0.055 0.000 0.941 381 F CB 1.102 40.123 39.000 0.035 0.000 1.291 381 F HN -0.067 nan 8.300 nan 0.000 0.472 382 F N 3.222 123.422 119.950 0.416 0.000 2.418 382 F HA 0.369 4.896 4.527 -0.000 0.000 0.341 382 F C -1.835 174.160 175.800 0.324 0.000 1.120 382 F CA -2.166 56.005 58.000 0.285 0.000 1.232 382 F CB 0.166 39.256 39.000 0.149 0.000 1.175 382 F HN 0.102 nan 8.300 nan 0.000 0.569 383 P HA 0.165 nan 4.420 nan 0.000 0.276 383 P C -0.502 176.992 177.300 0.323 0.000 1.244 383 P CA -0.172 63.212 63.100 0.474 0.000 0.801 383 P CB 1.795 33.702 31.700 0.345 0.000 1.006 384 E N 0.523 120.844 120.200 0.203 0.000 2.290 384 E HA 0.082 4.432 4.350 -0.000 0.000 0.195 384 E C -0.197 176.354 176.600 -0.081 0.000 0.938 384 E CA 0.784 57.271 56.400 0.144 0.000 1.018 384 E CB -0.117 29.722 29.700 0.232 0.000 1.042 384 E HN 0.498 nan 8.360 nan 0.000 0.483 385 W N 0.900 122.205 121.300 0.009 0.000 2.417 385 W HA 0.564 5.224 4.660 0.000 0.000 0.315 385 W C -0.843 175.667 176.519 -0.016 0.000 1.045 385 W CA -0.355 56.975 57.345 -0.025 0.000 1.221 385 W CB 1.483 30.952 29.460 0.015 0.000 1.309 385 W HN -0.011 nan 8.180 nan 0.000 0.453 386 A N 3.486 126.504 122.820 0.329 0.000 2.330 386 A HA 0.707 5.027 4.320 -0.000 0.000 0.313 386 A C -0.976 176.746 177.584 0.230 0.000 1.124 386 A CA -0.528 51.631 52.037 0.204 0.000 0.774 386 A CB 1.747 20.794 19.000 0.079 0.000 1.198 386 A HN 0.319 nan 8.150 nan 0.000 0.465 387 S N 4.286 120.002 115.700 0.028 0.000 2.653 387 S HA 0.544 5.014 4.470 -0.000 0.000 0.268 387 S C -1.899 172.423 174.600 -0.464 0.000 1.153 387 S CA -0.868 57.294 58.200 -0.064 0.000 1.036 387 S CB 1.441 64.706 63.200 0.109 0.000 1.103 387 S HN 0.449 nan 8.310 nan 0.000 0.466 388 P HA -0.142 nan 4.420 nan 0.000 0.222 388 P C 0.994 177.795 177.300 -0.831 0.000 1.157 388 P CA 1.871 64.400 63.100 -0.951 0.000 0.905 388 P CB -0.349 30.560 31.700 -1.317 0.000 0.792 389 G N -1.540 106.792 108.800 -0.781 0.000 2.531 389 G HA2 0.209 4.169 3.960 -0.000 0.000 0.281 389 G HA3 0.209 4.169 3.960 -0.000 0.000 0.281 389 G C -0.503 174.184 174.900 -0.355 0.000 1.382 389 G CA -0.452 44.133 45.100 -0.858 0.000 1.045 389 G HN 0.182 nan 8.290 nan 0.000 0.533 390 H N 0.755 119.813 119.070 -0.021 0.000 2.964 390 H HA 0.224 4.780 4.556 -0.000 0.000 0.328 390 H C 0.380 175.650 175.328 -0.097 0.000 1.030 390 H CA 0.488 56.532 56.048 -0.006 0.000 1.445 390 H CB 0.527 30.222 29.762 -0.112 0.000 1.449 390 H HN 0.160 nan 8.280 nan 0.000 0.581 391 R N 1.274 121.831 120.500 0.095 0.000 2.807 391 R HA 0.374 4.714 4.340 -0.000 0.000 0.276 391 R C 0.248 176.552 176.300 0.007 0.000 0.979 391 R CA -1.011 55.086 56.100 -0.005 0.000 0.928 391 R CB 2.063 32.324 30.300 -0.064 0.000 1.191 391 R HN 0.769 nan 8.270 nan 0.000 0.471 392 G N 0.455 109.225 108.800 -0.050 0.000 2.475 392 G HA2 0.421 4.381 3.960 -0.000 0.000 0.322 392 G HA3 0.421 4.381 3.960 -0.000 0.000 0.322 392 G C -0.712 174.151 174.900 -0.062 0.000 1.044 392 G CA -0.151 44.929 45.100 -0.034 0.000 1.047 392 G HN 0.443 nan 8.290 nan 0.000 0.436 393 C N 5.027 124.318 119.300 -0.015 0.000 2.931 393 C HA 0.706 5.166 4.460 -0.000 0.000 0.370 393 C C -0.043 175.003 174.990 0.093 0.000 1.071 393 C CA -0.515 58.462 59.018 -0.068 0.000 1.266 393 C CB 0.547 28.045 27.740 -0.404 0.000 1.691 393 C HN 0.978 nan 8.230 nan 0.000 0.511 394 M N 2.865 122.436 119.600 -0.050 0.000 7.319 394 M HA -0.146 4.334 4.480 -0.000 0.000 0.127 394 M C -0.133 176.117 176.300 -0.084 0.000 0.480 394 M CA 1.740 56.917 55.300 -0.204 0.000 1.311 394 M CB -2.173 30.274 32.600 -0.254 0.000 0.421 394 M HN 1.569 nan 8.290 nan 0.000 0.549 395 V N -3.157 116.709 119.914 -0.081 0.000 3.181 395 V HA 1.032 5.152 4.120 -0.000 0.000 0.307 395 V C 0.149 176.425 176.094 0.304 0.000 1.310 395 V CA 0.601 62.955 62.300 0.090 0.000 1.067 395 V CB 1.208 33.044 31.823 0.022 0.000 1.081 395 V HN 2.691 nan 8.190 nan 0.000 0.453 396 G N 1.244 110.201 108.800 0.262 0.000 2.663 396 G HA2 0.008 3.968 3.960 -0.000 0.000 0.686 396 G HA3 0.008 3.968 3.960 -0.000 0.000 0.686 396 G C -0.607 174.518 174.900 0.375 0.000 1.288 396 G CA 0.137 45.438 45.100 0.334 0.000 0.836 396 G HN 1.940 nan 8.290 nan 0.000 0.584 397 N N 0.057 118.951 118.700 0.323 0.000 2.598 397 N HA 0.163 4.903 4.740 -0.000 0.000 0.309 397 N C 1.025 176.545 175.510 0.016 0.000 1.645 397 N CA -0.013 53.139 53.050 0.170 0.000 0.936 397 N CB -0.423 38.100 38.487 0.061 0.000 1.323 397 N HN 0.504 nan 8.380 nan 0.000 0.497 398 N N -1.153 117.557 118.700 0.016 0.000 2.515 398 N HA -0.098 4.642 4.740 -0.000 0.000 0.185 398 N C 1.579 176.916 175.510 -0.289 0.000 1.109 398 N CA 0.637 53.548 53.050 -0.232 0.000 0.903 398 N CB 0.261 38.548 38.487 -0.333 0.000 0.969 398 N HN 0.309 nan 8.380 nan 0.000 0.450 399 S N 0.497 116.109 115.700 -0.147 0.000 2.402 399 S HA -0.214 4.256 4.470 -0.000 0.000 0.233 399 S C 2.123 176.403 174.600 -0.533 0.000 1.030 399 S CA 0.964 58.919 58.200 -0.409 0.000 1.003 399 S CB -0.473 62.705 63.200 -0.037 0.000 0.813 399 S HN 0.378 nan 8.310 nan 0.000 0.477 400 A N 1.577 124.154 122.820 -0.405 0.000 1.902 400 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 400 A C 2.470 179.768 177.584 -0.476 0.000 1.181 400 A CA 1.968 53.737 52.037 -0.446 0.000 0.623 400 A CB -1.331 17.436 19.000 -0.388 0.000 0.818 400 A HN 0.618 nan 8.150 nan 0.000 0.443 401 S N -0.500 114.909 115.700 -0.485 0.000 2.355 401 S HA -0.106 4.364 4.470 -0.000 0.000 0.222 401 S C 1.961 176.360 174.600 -0.335 0.000 1.031 401 S CA 1.246 59.210 58.200 -0.393 0.000 0.993 401 S CB -0.445 62.563 63.200 -0.320 0.000 0.859 401 S HN 0.388 nan 8.310 nan 0.000 0.453 402 I N 1.675 121.949 120.570 -0.492 0.000 2.118 402 I HA -0.191 3.979 4.170 -0.000 0.000 0.241 402 I C 2.403 178.208 176.117 -0.520 0.000 1.070 402 I CA 1.452 62.366 61.300 -0.643 0.000 1.327 402 I CB -1.407 35.846 38.000 -1.245 0.000 1.034 402 I HN 0.366 nan 8.210 nan 0.000 0.405 403 L N -0.162 120.727 121.223 -0.558 0.000 2.027 403 L HA -0.165 4.175 4.340 -0.000 0.000 0.206 403 L C 2.615 179.302 176.870 -0.304 0.000 1.074 403 L CA 0.872 55.433 54.840 -0.465 0.000 0.745 403 L CB -0.545 41.142 42.059 -0.620 0.000 0.898 403 L HN 0.015 nan 8.230 nan 0.000 0.433 404 V N -0.350 119.373 119.914 -0.317 0.000 2.379 404 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 404 V C 2.130 178.130 176.094 -0.157 0.000 1.044 404 V CA 1.905 64.058 62.300 -0.245 0.000 1.036 404 V CB -0.427 31.207 31.823 -0.315 0.000 0.664 404 V HN 0.469 nan 8.190 nan 0.000 0.453 405 D N 0.546 120.849 120.400 -0.161 0.000 2.123 405 D HA -0.168 4.472 4.640 -0.000 0.000 0.196 405 D C 2.119 178.357 176.300 -0.104 0.000 0.992 405 D CA 1.639 55.572 54.000 -0.110 0.000 0.833 405 D CB -0.118 40.637 40.800 -0.076 0.000 0.954 405 D HN 0.357 nan 8.370 nan 0.000 0.455 406 A N -0.622 122.137 122.820 -0.102 0.000 1.865 406 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 406 A C 2.302 179.846 177.584 -0.067 0.000 1.191 406 A CA 1.697 53.690 52.037 -0.074 0.000 0.623 406 A CB -1.487 17.463 19.000 -0.083 0.000 0.826 406 A HN 0.497 nan 8.150 nan 0.000 0.444 407 Y N -0.039 120.166 120.300 -0.158 0.000 2.097 407 Y HA -0.237 4.313 4.550 -0.000 0.000 0.282 407 Y C 2.338 178.152 175.900 -0.143 0.000 1.152 407 Y CA 2.289 60.304 58.100 -0.141 0.000 1.136 407 Y CB -0.174 38.192 38.460 -0.157 0.000 0.975 407 Y HN 0.219 nan 8.280 nan 0.000 0.498 408 M N -0.114 119.511 119.600 0.042 0.000 2.549 408 M HA -0.138 4.342 4.480 -0.000 0.000 0.260 408 M C 1.158 177.354 176.300 -0.174 0.000 1.076 408 M CA 1.517 56.788 55.300 -0.049 0.000 1.090 408 M CB -0.704 31.847 32.600 -0.083 0.000 1.418 408 M HN 0.195 nan 8.290 nan 0.000 0.486 409 K N -0.706 119.561 120.400 -0.222 0.000 2.440 409 K HA 0.322 4.642 4.320 -0.000 0.000 0.206 409 K C 0.864 177.334 176.600 -0.217 0.000 1.025 409 K CA 0.325 56.394 56.287 -0.363 0.000 1.135 409 K CB 0.417 32.601 32.500 -0.527 0.000 0.856 409 K HN 0.406 nan 8.250 nan 0.000 0.502 410 G N 0.215 108.902 108.800 -0.187 0.000 2.176 410 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.232 410 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.232 410 G C -0.009 174.818 174.900 -0.121 0.000 0.986 410 G CA -0.120 44.901 45.100 -0.131 0.000 0.643 410 G HN 0.113 nan 8.290 nan 0.000 0.522 411 V N 2.487 122.329 119.914 -0.121 0.000 2.299 411 V HA 0.368 4.488 4.120 -0.000 0.000 0.255 411 V C 0.395 176.409 176.094 -0.133 0.000 1.100 411 V CA -0.087 62.162 62.300 -0.085 0.000 0.938 411 V CB 0.690 32.493 31.823 -0.034 0.000 1.139 411 V HN 0.298 nan 8.190 nan 0.000 0.490 412 K N 3.698 124.003 120.400 -0.159 0.000 2.235 412 K HA 0.573 4.893 4.320 -0.000 0.000 0.266 412 K C -0.142 176.446 176.600 -0.020 0.000 0.980 412 K CA -0.669 55.525 56.287 -0.155 0.000 0.849 412 K CB 2.394 34.699 32.500 -0.324 0.000 1.098 412 K HN 0.506 nan 8.250 nan 0.000 0.445 413 V N -0.476 119.470 119.914 0.053 0.000 3.185 413 V HA 0.027 4.147 4.120 -0.000 0.000 0.305 413 V C 0.654 176.792 176.094 0.073 0.000 1.090 413 V CA -0.075 62.263 62.300 0.064 0.000 1.107 413 V CB 0.701 32.573 31.823 0.082 0.000 1.061 413 V HN 0.656 nan 8.190 nan 0.000 0.480 414 D N 0.302 120.743 120.400 0.070 0.000 2.123 414 D HA -0.047 4.593 4.640 -0.000 0.000 0.200 414 D C 0.793 177.131 176.300 0.064 0.000 0.976 414 D CA 1.570 55.607 54.000 0.062 0.000 0.831 414 D CB -0.147 40.689 40.800 0.060 0.000 0.974 414 D HN 0.827 nan 8.370 nan 0.000 0.469 415 D N 0.301 120.743 120.400 0.071 0.000 2.522 415 D HA 0.127 4.767 4.640 -0.000 0.000 0.218 415 D C 1.185 177.520 176.300 0.058 0.000 1.149 415 D CA -0.174 53.863 54.000 0.061 0.000 0.981 415 D CB -0.119 40.719 40.800 0.064 0.000 1.041 415 D HN 0.085 nan 8.370 nan 0.000 0.518 416 I N 1.752 122.353 120.570 0.052 0.000 2.546 416 I HA -0.159 4.011 4.170 -0.000 0.000 0.255 416 I C 2.410 178.528 176.117 0.002 0.000 1.163 416 I CA 0.492 61.810 61.300 0.029 0.000 1.457 416 I CB 0.039 38.056 38.000 0.028 0.000 1.092 416 I HN 0.236 nan 8.210 nan 0.000 0.434 417 K N 0.934 121.337 120.400 0.006 0.000 2.032 417 K HA -0.185 4.135 4.320 -0.000 0.000 0.209 417 K C 2.029 178.641 176.600 0.019 0.000 1.048 417 K CA 1.955 58.245 56.287 0.007 0.000 0.927 417 K CB -0.079 32.424 32.500 0.005 0.000 0.712 417 K HN 0.208 nan 8.250 nan 0.000 0.441 418 T N 1.943 116.506 114.554 0.015 0.000 2.821 418 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 418 T C 1.626 176.270 174.700 -0.094 0.000 1.046 418 T CA 1.074 63.166 62.100 -0.013 0.000 1.139 418 T CB -0.170 68.722 68.868 0.041 0.000 0.871 418 T HN 0.185 nan 8.240 nan 0.000 0.454 419 L N 0.462 121.683 121.223 -0.002 0.000 2.012 419 L HA -0.069 4.271 4.340 -0.000 0.000 0.210 419 L C 2.095 178.938 176.870 -0.044 0.000 1.073 419 L CA 1.812 56.671 54.840 0.031 0.000 0.748 419 L CB -1.054 41.003 42.059 -0.004 0.000 0.891 419 L HN 0.266 nan 8.230 nan 0.000 0.431 420 Y N 0.538 120.736 120.300 -0.170 0.000 2.200 420 Y HA -0.191 4.359 4.550 -0.000 0.000 0.290 420 Y C 2.476 178.272 175.900 -0.173 0.000 1.137 420 Y CA 2.093 60.075 58.100 -0.198 0.000 1.163 420 Y CB -0.097 38.245 38.460 -0.197 0.000 0.988 420 Y HN 0.402 nan 8.280 nan 0.000 0.518 421 E N -0.731 119.416 120.200 -0.087 0.000 2.077 421 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 421 E C 2.421 178.834 176.600 -0.311 0.000 0.989 421 E CA 0.971 57.285 56.400 -0.144 0.000 0.800 421 E CB -0.567 29.093 29.700 -0.066 0.000 0.746 421 E HN 0.627 nan 8.360 nan 0.000 0.452 422 G N 1.500 109.934 108.800 -0.610 0.000 2.446 422 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 422 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 422 G C 1.595 176.360 174.900 -0.226 0.000 1.168 422 G CA 0.652 45.163 45.100 -0.982 0.000 0.771 422 G HN 0.084 nan 8.290 nan 0.000 0.551 423 L N 0.361 121.492 121.223 -0.154 0.000 1.989 423 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 423 L C 2.870 179.564 176.870 -0.294 0.000 1.071 423 L CA 0.775 55.465 54.840 -0.251 0.000 0.749 423 L CB -0.370 41.402 42.059 -0.478 0.000 0.890 423 L HN 0.149 nan 8.230 nan 0.000 0.431 424 I N -0.919 119.419 120.570 -0.386 0.000 2.286 424 I HA -0.322 3.848 4.170 -0.000 0.000 0.248 424 I C 2.549 178.583 176.117 -0.139 0.000 1.115 424 I CA 1.545 62.692 61.300 -0.255 0.000 1.392 424 I CB -1.578 36.275 38.000 -0.244 0.000 1.065 424 I HN 0.459 nan 8.210 nan 0.000 0.418 425 H N 1.525 120.467 119.070 -0.213 0.000 2.352 425 H HA -0.145 4.411 4.556 -0.000 0.000 0.299 425 H C 2.080 177.277 175.328 -0.218 0.000 1.097 425 H CA 1.917 57.839 56.048 -0.209 0.000 1.311 425 H CB -0.002 29.644 29.762 -0.195 0.000 1.377 425 H HN 0.323 nan 8.280 nan 0.000 0.504 426 G N -0.454 108.289 108.800 -0.095 0.000 2.598 426 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.215 426 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.215 426 G C 1.733 176.522 174.900 -0.186 0.000 1.131 426 G CA 1.008 46.073 45.100 -0.059 0.000 0.785 426 G HN 0.604 nan 8.290 nan 0.000 0.539 427 T N -1.253 113.171 114.554 -0.217 0.000 3.088 427 T HA 0.089 4.439 4.350 -0.000 0.000 0.259 427 T C 1.376 175.874 174.700 -0.338 0.000 1.122 427 T CA 1.055 63.035 62.100 -0.201 0.000 1.095 427 T CB 0.002 68.862 68.868 -0.012 0.000 0.930 427 T HN 0.558 nan 8.240 nan 0.000 0.508 428 E N 0.433 120.294 120.200 -0.564 0.000 2.876 428 E HA 0.309 4.659 4.350 -0.000 0.000 0.208 428 E C -0.549 175.191 176.600 -1.432 0.000 0.981 428 E CA -0.761 55.029 56.400 -1.017 0.000 1.174 428 E CB 0.287 29.721 29.700 -0.445 0.000 1.047 428 E HN 0.289 nan 8.360 nan 0.000 0.477 429 N N 0.798 118.887 118.700 -1.019 0.000 2.396 429 N HA 0.372 5.112 4.740 -0.000 0.000 0.275 429 N C -1.856 173.627 175.510 -0.044 0.000 1.218 429 N CA -0.594 52.142 53.050 -0.522 0.000 0.812 429 N CB 2.997 41.180 38.487 -0.506 0.000 1.592 429 N HN 0.013 nan 8.380 nan 0.000 0.480 430 V N 0.633 120.651 119.914 0.174 0.000 2.789 430 V HA 0.307 4.427 4.120 -0.000 0.000 0.311 430 V C -0.648 175.448 176.094 0.005 0.000 1.073 430 V CA -0.556 61.826 62.300 0.136 0.000 0.921 430 V CB 1.666 33.590 31.823 0.169 0.000 1.009 430 V HN 0.837 nan 8.190 nan 0.000 0.426 431 H N 7.590 126.341 119.070 -0.531 0.000 3.034 431 H HA 0.225 4.780 4.556 -0.000 0.000 0.324 431 H C -1.793 173.422 175.328 -0.188 0.000 1.015 431 H CA -0.159 55.513 56.048 -0.628 0.000 1.429 431 H CB 1.617 30.875 29.762 -0.840 0.000 1.429 431 H HN 0.527 nan 8.280 nan 0.000 0.585 432 P HA -0.131 nan 4.420 nan 0.000 0.218 432 P C 0.318 177.685 177.300 0.110 0.000 1.148 432 P CA 1.412 64.493 63.100 -0.030 0.000 0.822 432 P CB 0.401 32.041 31.700 -0.098 0.000 0.784 433 E N -2.011 118.397 120.200 0.346 0.000 2.364 433 E HA 0.089 4.439 4.350 -0.000 0.000 0.203 433 E C 0.047 176.705 176.600 0.096 0.000 0.888 433 E CA 0.162 56.683 56.400 0.202 0.000 0.989 433 E CB 0.245 30.049 29.700 0.174 0.000 0.985 433 E HN -0.102 nan 8.360 nan 0.000 0.499 434 V N 2.704 122.633 119.914 0.026 0.000 2.277 434 V HA 0.068 4.188 4.120 -0.000 0.000 0.269 434 V C 1.001 177.042 176.094 -0.088 0.000 1.036 434 V CA 0.158 62.366 62.300 -0.153 0.000 0.821 434 V CB 0.974 32.558 31.823 -0.399 0.000 1.052 434 V HN 0.286 nan 8.190 nan 0.000 0.462 435 S N 2.395 118.084 115.700 -0.019 0.000 2.547 435 S HA -0.102 4.368 4.470 -0.000 0.000 0.235 435 S C 1.676 176.289 174.600 0.023 0.000 0.980 435 S CA 0.955 59.163 58.200 0.013 0.000 0.941 435 S CB -0.172 63.047 63.200 0.032 0.000 0.763 435 S HN 0.843 nan 8.310 nan 0.000 0.532 436 S N -0.229 115.476 115.700 0.009 0.000 2.575 436 S HA 0.210 4.680 4.470 -0.000 0.000 0.215 436 S C 0.316 174.945 174.600 0.049 0.000 0.966 436 S CA -0.443 57.792 58.200 0.059 0.000 0.911 436 S CB -0.242 63.010 63.200 0.087 0.000 0.780 436 S HN 0.355 nan 8.310 nan 0.000 0.514 437 T N 2.460 116.975 114.554 -0.066 0.000 2.779 437 T HA 0.672 5.022 4.350 -0.000 0.000 0.280 437 T C 0.510 175.107 174.700 -0.173 0.000 0.987 437 T CA 0.307 62.304 62.100 -0.172 0.000 0.966 437 T CB 0.936 69.497 68.868 -0.512 0.000 0.933 437 T HN 0.810 nan 8.240 nan 0.000 0.442 438 G N 3.235 112.072 108.800 0.062 0.000 2.681 438 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.220 438 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.220 438 G C -0.824 174.142 174.900 0.111 0.000 1.353 438 G CA -0.915 44.299 45.100 0.190 0.000 0.872 438 G HN 0.779 nan 8.290 nan 0.000 0.557 439 R N -0.188 120.342 120.500 0.050 0.000 2.278 439 R HA 0.408 4.748 4.340 -0.000 0.000 0.322 439 R C 0.204 176.648 176.300 0.240 0.000 1.058 439 R CA -0.785 55.338 56.100 0.039 0.000 0.991 439 R CB 1.077 31.142 30.300 -0.392 0.000 1.140 439 R HN 0.551 nan 8.270 nan 0.000 0.518 440 L N 2.010 123.401 121.223 0.280 0.000 2.540 440 L HA 0.132 4.472 4.340 -0.000 0.000 0.276 440 L C 1.183 178.239 176.870 0.309 0.000 1.212 440 L CA 1.661 56.655 54.840 0.257 0.000 0.893 440 L CB 0.546 42.709 42.059 0.173 0.000 1.138 440 L HN 0.921 nan 8.230 nan 0.000 0.491 441 G N 3.358 112.304 108.800 0.244 0.000 2.143 441 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.249 441 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.249 441 G C 0.556 175.604 174.900 0.246 0.000 0.981 441 G CA 0.808 46.061 45.100 0.256 0.000 0.665 441 G HN 1.170 nan 8.290 nan 0.000 0.528 442 Y N -0.018 120.368 120.300 0.144 0.000 2.256 442 Y HA 0.132 4.682 4.550 -0.000 0.000 0.288 442 Y C 2.132 178.094 175.900 0.103 0.000 1.155 442 Y CA 1.744 59.895 58.100 0.085 0.000 1.203 442 Y CB -0.486 37.950 38.460 -0.040 0.000 0.980 442 Y HN 0.365 nan 8.280 nan 0.000 0.530 443 E N 0.378 120.112 120.200 -0.777 0.000 2.038 443 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 443 E C 1.865 178.290 176.600 -0.292 0.000 1.000 443 E CA 2.188 58.229 56.400 -0.598 0.000 0.803 443 E CB -0.641 28.618 29.700 -0.735 0.000 0.750 443 E HN 0.626 nan 8.360 nan 0.000 0.448 444 Y N -0.750 119.459 120.300 -0.151 0.000 2.097 444 Y HA -0.267 4.283 4.550 -0.000 0.000 0.282 444 Y C 2.305 178.151 175.900 -0.089 0.000 1.152 444 Y CA 1.724 59.744 58.100 -0.134 0.000 1.136 444 Y CB -0.792 37.592 38.460 -0.126 0.000 0.975 444 Y HN 0.158 nan 8.280 nan 0.000 0.498 445 Y N 1.157 121.517 120.300 0.101 0.000 2.081 445 Y HA -0.336 4.214 4.550 -0.000 0.000 0.280 445 Y C 1.989 177.917 175.900 0.047 0.000 1.163 445 Y CA 2.207 60.372 58.100 0.108 0.000 1.135 445 Y CB -0.880 37.729 38.460 0.248 0.000 0.970 445 Y HN 0.188 nan 8.280 nan 0.000 0.498 446 N N -0.244 118.537 118.700 0.135 0.000 2.166 446 N HA -0.199 4.541 4.740 -0.000 0.000 0.186 446 N C 1.890 177.341 175.510 -0.098 0.000 1.019 446 N CA 1.233 54.286 53.050 0.004 0.000 0.856 446 N CB -0.204 38.340 38.487 0.095 0.000 0.993 446 N HN 0.359 nan 8.380 nan 0.000 0.426 447 K N 0.560 120.899 120.400 -0.102 0.000 2.044 447 K HA -0.008 4.312 4.320 -0.000 0.000 0.204 447 K C 1.330 177.844 176.600 -0.143 0.000 1.049 447 K CA 0.806 57.018 56.287 -0.124 0.000 0.945 447 K CB 0.283 32.697 32.500 -0.143 0.000 0.724 447 K HN 0.049 nan 8.250 nan 0.000 0.440 448 L N -0.685 120.422 121.223 -0.194 0.000 2.463 448 L HA 0.228 4.568 4.340 -0.000 0.000 0.219 448 L C 1.459 178.209 176.870 -0.200 0.000 1.088 448 L CA 1.485 56.173 54.840 -0.254 0.000 0.849 448 L CB -0.028 41.707 42.059 -0.540 0.000 1.012 448 L HN 0.632 nan 8.230 nan 0.000 0.468 449 G N -0.078 108.574 108.800 -0.247 0.000 2.176 449 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.232 449 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.232 449 G C 0.081 174.950 174.900 -0.053 0.000 0.986 449 G CA 0.335 45.310 45.100 -0.208 0.000 0.643 449 G HN 0.422 nan 8.290 nan 0.000 0.522 450 Y N -2.715 117.551 120.300 -0.056 0.000 2.713 450 Y HA 0.667 5.217 4.550 -0.000 0.000 0.335 450 Y C -0.607 175.417 175.900 0.206 0.000 1.222 450 Y CA -1.668 56.514 58.100 0.135 0.000 1.061 450 Y CB 0.903 39.398 38.460 0.058 0.000 1.314 450 Y HN 0.391 nan 8.280 nan 0.000 0.453 451 V N 3.197 123.328 119.914 0.361 0.000 2.348 451 V HA 0.392 4.512 4.120 -0.000 0.000 0.270 451 V C -2.272 173.903 176.094 0.135 0.000 1.037 451 V CA -1.978 60.416 62.300 0.157 0.000 0.872 451 V CB 0.755 32.661 31.823 0.138 0.000 1.002 451 V HN 0.574 nan 8.190 nan 0.000 0.464 452 P HA -0.056 nan 4.420 nan 0.000 0.266 452 P C 0.122 177.421 177.300 -0.001 0.000 1.193 452 P CA 0.252 63.379 63.100 0.045 0.000 0.770 452 P CB 0.393 31.946 31.700 -0.245 0.000 0.836 453 Y N 2.683 122.950 120.300 -0.055 0.000 2.561 453 Y HA -0.068 4.482 4.550 -0.000 0.000 0.291 453 Y C 0.810 176.652 175.900 -0.097 0.000 1.141 453 Y CA 1.116 59.157 58.100 -0.098 0.000 1.303 453 Y CB 0.040 38.446 38.460 -0.091 0.000 1.015 453 Y HN 0.274 nan 8.280 nan 0.000 0.547 454 D N -0.329 120.053 120.400 -0.031 0.000 2.623 454 D HA 0.050 4.690 4.640 -0.000 0.000 0.252 454 D C 0.308 176.533 176.300 -0.124 0.000 1.294 454 D CA 0.393 54.354 54.000 -0.066 0.000 0.824 454 D CB -0.541 40.294 40.800 0.057 0.000 1.070 454 D HN 0.204 nan 8.370 nan 0.000 0.487 455 V N -2.859 116.928 119.914 -0.212 0.000 3.006 455 V HA 0.456 4.576 4.120 -0.000 0.000 0.357 455 V C 0.368 176.367 176.094 -0.159 0.000 1.377 455 V CA -0.762 61.401 62.300 -0.228 0.000 1.198 455 V CB -0.099 31.395 31.823 -0.548 0.000 1.216 455 V HN -0.024 nan 8.190 nan 0.000 0.520 456 K N 0.283 120.598 120.400 -0.142 0.000 3.281 456 K HA -0.141 4.179 4.320 -0.000 0.000 0.295 456 K C -0.331 176.214 176.600 -0.093 0.000 1.233 456 K CA 1.071 57.299 56.287 -0.099 0.000 0.866 456 K CB -2.169 30.302 32.500 -0.049 0.000 1.265 456 K HN 0.807 nan 8.250 nan 0.000 0.482 457 I N 1.427 121.915 120.570 -0.136 0.000 2.411 457 I HA 0.213 4.383 4.170 -0.000 0.000 0.284 457 I C 0.230 176.263 176.117 -0.140 0.000 1.012 457 I CA -0.941 60.297 61.300 -0.103 0.000 1.119 457 I CB 1.448 39.399 38.000 -0.082 0.000 1.261 457 I HN -0.054 nan 8.210 nan 0.000 0.448 458 N N 4.685 123.321 118.700 -0.107 0.000 2.513 458 N HA 0.183 4.923 4.740 -0.000 0.000 0.274 458 N C 0.118 175.533 175.510 -0.159 0.000 1.189 458 N CA -0.147 52.820 53.050 -0.139 0.000 0.975 458 N CB 0.696 39.156 38.487 -0.046 0.000 1.157 458 N HN 0.492 nan 8.380 nan 0.000 0.465 459 E N -0.821 119.237 120.200 -0.237 0.000 2.637 459 E HA -0.246 4.104 4.350 -0.000 0.000 0.265 459 E C 0.668 177.120 176.600 -0.248 0.000 1.073 459 E CA 0.533 56.783 56.400 -0.249 0.000 0.778 459 E CB -1.390 28.215 29.700 -0.159 0.000 1.362 459 E HN 0.686 nan 8.360 nan 0.000 0.413 460 N N 0.057 118.615 118.700 -0.237 0.000 2.104 460 N HA -0.252 4.488 4.740 -0.000 0.000 0.190 460 N C 1.873 177.272 175.510 -0.184 0.000 1.024 460 N CA 1.609 54.557 53.050 -0.169 0.000 0.853 460 N CB -0.258 38.157 38.487 -0.120 0.000 1.008 460 N HN 0.293 nan 8.380 nan 0.000 0.424 461 A N 1.471 124.100 122.820 -0.318 0.000 1.898 461 A HA 0.165 4.485 4.320 -0.000 0.000 0.216 461 A C 2.582 180.016 177.584 -0.249 0.000 1.181 461 A CA 1.853 53.690 52.037 -0.333 0.000 0.620 461 A CB -0.904 17.643 19.000 -0.756 0.000 0.819 461 A HN 0.489 nan 8.150 nan 0.000 0.442 462 A N -0.097 122.480 122.820 -0.405 0.000 1.902 462 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 462 A C 2.248 179.741 177.584 -0.151 0.000 1.181 462 A CA 1.503 53.279 52.037 -0.434 0.000 0.623 462 A CB -0.459 18.177 19.000 -0.606 0.000 0.818 462 A HN 0.561 nan 8.150 nan 0.000 0.443 463 R N -0.875 119.476 120.500 -0.248 0.000 2.070 463 R HA -0.094 4.246 4.340 -0.000 0.000 0.233 463 R C 2.332 178.261 176.300 -0.618 0.000 1.137 463 R CA 1.877 57.664 56.100 -0.523 0.000 0.945 463 R CB -1.004 28.957 30.300 -0.565 0.000 0.845 463 R HN 0.520 nan 8.270 nan 0.000 0.430 464 T N 1.965 116.392 114.554 -0.211 0.000 2.635 464 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 464 T C 1.965 176.817 174.700 0.254 0.000 1.040 464 T CA 1.349 63.533 62.100 0.139 0.000 1.156 464 T CB -0.284 68.753 68.868 0.282 0.000 0.863 464 T HN 0.116 nan 8.240 nan 0.000 0.430 465 L N 0.551 121.914 121.223 0.232 0.000 2.017 465 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 465 L C 2.817 179.928 176.870 0.401 0.000 1.073 465 L CA 1.541 56.598 54.840 0.361 0.000 0.745 465 L CB -0.550 41.736 42.059 0.379 0.000 0.894 465 L HN 0.343 nan 8.230 nan 0.000 0.432 466 E N -0.971 119.426 120.200 0.328 0.000 2.106 466 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 466 E C 2.201 178.991 176.600 0.316 0.000 0.984 466 E CA 0.995 57.610 56.400 0.359 0.000 0.806 466 E CB -0.123 29.776 29.700 0.333 0.000 0.750 466 E HN 0.398 nan 8.360 nan 0.000 0.458 467 Y N 0.898 121.264 120.300 0.110 0.000 2.151 467 Y HA -0.225 4.325 4.550 -0.000 0.000 0.284 467 Y C 2.454 178.426 175.900 0.120 0.000 1.166 467 Y CA 0.749 58.817 58.100 -0.054 0.000 1.163 467 Y CB -1.180 36.972 38.460 -0.512 0.000 0.974 467 Y HN 0.044 nan 8.280 nan 0.000 0.511 468 A N -0.500 122.610 122.820 0.484 0.000 1.883 468 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 468 A C 2.192 179.943 177.584 0.277 0.000 1.186 468 A CA 1.825 54.168 52.037 0.511 0.000 0.624 468 A CB -1.498 17.883 19.000 0.635 0.000 0.822 468 A HN 0.527 nan 8.150 nan 0.000 0.444 469 Y N 1.439 121.802 120.300 0.105 0.000 2.181 469 Y HA -0.204 4.346 4.550 -0.000 0.000 0.288 469 Y C 1.828 177.662 175.900 -0.109 0.000 1.146 469 Y CA 1.749 59.714 58.100 -0.225 0.000 1.164 469 Y CB -0.393 38.115 38.460 0.079 0.000 0.982 469 Y HN 0.366 nan 8.280 nan 0.000 0.515 470 D N 0.510 120.733 120.400 -0.294 0.000 2.106 470 D HA -0.220 4.420 4.640 -0.000 0.000 0.191 470 D C 1.732 177.879 176.300 -0.256 0.000 0.997 470 D CA 1.852 55.627 54.000 -0.374 0.000 0.834 470 D CB -0.473 40.235 40.800 -0.153 0.000 0.956 470 D HN 0.473 nan 8.370 nan 0.000 0.448 471 D N -0.342 120.043 120.400 -0.026 0.000 2.182 471 D HA -0.153 4.487 4.640 -0.000 0.000 0.201 471 D C 1.898 178.226 176.300 0.047 0.000 0.986 471 D CA 0.467 54.535 54.000 0.113 0.000 0.847 471 D CB -0.423 40.604 40.800 0.377 0.000 0.942 471 D HN 0.371 nan 8.370 nan 0.000 0.467 472 W N 1.433 122.588 121.300 -0.242 0.000 2.338 472 W HA -0.271 4.389 4.660 -0.000 0.000 0.304 472 W C 2.314 178.690 176.519 -0.238 0.000 1.212 472 W CA 1.241 58.406 57.345 -0.300 0.000 1.264 472 W CB -0.443 28.713 29.460 -0.507 0.000 1.142 472 W HN -0.038 nan 8.180 nan 0.000 0.512 473 C N 0.243 119.392 119.300 -0.251 0.000 2.429 473 C HA -0.203 4.257 4.460 -0.000 0.000 0.277 473 C C 2.701 177.386 174.990 -0.509 0.000 1.262 473 C CA 1.234 59.984 59.018 -0.447 0.000 1.733 473 C CB -1.510 25.957 27.740 -0.454 0.000 2.010 473 C HN 0.367 nan 8.230 nan 0.000 0.483 474 I N -0.080 120.202 120.570 -0.480 0.000 2.226 474 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 474 I C 2.522 178.334 176.117 -0.508 0.000 1.100 474 I CA 1.921 62.856 61.300 -0.609 0.000 1.374 474 I CB -0.659 36.761 38.000 -0.967 0.000 1.057 474 I HN 0.425 nan 8.210 nan 0.000 0.413 475 Y N 2.203 122.224 120.300 -0.464 0.000 2.114 475 Y HA -0.295 4.255 4.550 -0.000 0.000 0.282 475 Y C 2.716 178.379 175.900 -0.394 0.000 1.165 475 Y CA 1.557 59.487 58.100 -0.283 0.000 1.148 475 Y CB -0.233 38.093 38.460 -0.223 0.000 0.972 475 Y HN -0.029 nan 8.280 nan 0.000 0.504 476 R N 0.145 120.176 120.500 -0.782 0.000 2.083 476 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 476 R C 2.254 178.188 176.300 -0.611 0.000 1.137 476 R CA 1.649 57.221 56.100 -0.880 0.000 0.951 476 R CB -1.241 28.463 30.300 -0.993 0.000 0.851 476 R HN 0.464 nan 8.270 nan 0.000 0.434 477 L N 0.759 121.685 121.223 -0.495 0.000 2.072 477 L HA 0.036 4.376 4.340 -0.000 0.000 0.205 477 L C 2.298 178.960 176.870 -0.347 0.000 1.079 477 L CA 1.808 56.409 54.840 -0.398 0.000 0.752 477 L CB -0.678 41.157 42.059 -0.373 0.000 0.906 477 L HN 0.127 nan 8.230 nan 0.000 0.436 478 A N -0.449 122.205 122.820 -0.277 0.000 1.908 478 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 478 A C 2.432 179.844 177.584 -0.286 0.000 1.181 478 A CA 2.125 54.035 52.037 -0.211 0.000 0.627 478 A CB -0.620 18.358 19.000 -0.036 0.000 0.818 478 A HN 0.490 nan 8.150 nan 0.000 0.445 479 K N -0.501 119.671 120.400 -0.379 0.000 2.026 479 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 479 K C 2.089 178.536 176.600 -0.254 0.000 1.048 479 K CA 1.745 57.827 56.287 -0.342 0.000 0.929 479 K CB -0.158 32.030 32.500 -0.519 0.000 0.713 479 K HN 0.469 nan 8.250 nan 0.000 0.439 480 E N 0.351 120.389 120.200 -0.271 0.000 2.097 480 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 480 E C 1.361 177.854 176.600 -0.178 0.000 1.000 480 E CA 1.347 57.634 56.400 -0.189 0.000 0.804 480 E CB -0.116 29.481 29.700 -0.171 0.000 0.740 480 E HN 0.176 nan 8.360 nan 0.000 0.454 481 L N 0.943 122.013 121.223 -0.255 0.000 2.610 481 L HA 0.127 4.467 4.340 -0.000 0.000 0.232 481 L C 0.475 177.215 176.870 -0.218 0.000 1.149 481 L CA 0.978 55.658 54.840 -0.266 0.000 0.872 481 L CB -0.823 40.982 42.059 -0.422 0.000 0.992 481 L HN 0.166 nan 8.230 nan 0.000 0.447 482 K N -0.047 120.243 120.400 -0.184 0.000 3.096 482 K HA -0.200 4.120 4.320 -0.000 0.000 0.266 482 K C 0.111 176.623 176.600 -0.147 0.000 1.043 482 K CA 0.255 56.460 56.287 -0.136 0.000 0.758 482 K CB -0.883 31.557 32.500 -0.101 0.000 1.260 482 K HN 0.274 nan 8.250 nan 0.000 0.481 483 R N -0.151 120.234 120.500 -0.191 0.000 2.801 483 R HA 0.154 4.494 4.340 -0.000 0.000 0.273 483 R C -2.194 174.059 176.300 -0.078 0.000 1.080 483 R CA -1.575 54.421 56.100 -0.173 0.000 1.197 483 R CB -0.464 29.701 30.300 -0.225 0.000 1.109 483 R HN -0.048 nan 8.270 nan 0.000 0.535 484 P HA 0.022 nan 4.420 nan 0.000 0.266 484 P C 0.020 177.331 177.300 0.018 0.000 1.195 484 P CA 0.094 63.188 63.100 -0.010 0.000 0.768 484 P CB 0.460 32.161 31.700 0.002 0.000 0.838 485 K N 2.427 122.838 120.400 0.019 0.000 2.113 485 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 485 K C 1.692 178.325 176.600 0.055 0.000 1.047 485 K CA 1.660 57.971 56.287 0.040 0.000 0.928 485 K CB -0.358 32.161 32.500 0.032 0.000 0.716 485 K HN 0.381 nan 8.250 nan 0.000 0.446 486 K N 0.747 121.170 120.400 0.039 0.000 2.057 486 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 486 K C 2.088 178.717 176.600 0.047 0.000 1.049 486 K CA 1.401 57.708 56.287 0.033 0.000 0.931 486 K CB -0.028 32.481 32.500 0.016 0.000 0.714 486 K HN 0.274 nan 8.250 nan 0.000 0.440 487 E N 0.563 120.810 120.200 0.078 0.000 2.017 487 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 487 E C 2.078 178.822 176.600 0.239 0.000 0.997 487 E CA 1.275 57.767 56.400 0.153 0.000 0.804 487 E CB -0.122 29.699 29.700 0.201 0.000 0.757 487 E HN 0.234 nan 8.360 nan 0.000 0.448 488 I N 0.921 121.613 120.570 0.205 0.000 2.194 488 I HA -0.304 3.866 4.170 -0.000 0.000 0.246 488 I C 2.420 178.733 176.117 0.326 0.000 1.093 488 I CA 1.030 62.484 61.300 0.255 0.000 1.355 488 I CB -0.237 37.845 38.000 0.137 0.000 1.046 488 I HN 0.004 nan 8.210 nan 0.000 0.413 489 S N 0.692 116.511 115.700 0.199 0.000 2.402 489 S HA -0.135 4.335 4.470 -0.000 0.000 0.229 489 S C 1.884 176.546 174.600 0.104 0.000 1.021 489 S CA 1.011 59.306 58.200 0.158 0.000 0.974 489 S CB -0.369 62.884 63.200 0.087 0.000 0.800 489 S HN 0.331 nan 8.310 nan 0.000 0.484 490 L N 0.673 121.912 121.223 0.027 0.000 2.056 490 L HA 0.089 4.429 4.340 -0.000 0.000 0.207 490 L C 1.662 178.403 176.870 -0.216 0.000 1.078 490 L CA 1.759 56.505 54.840 -0.157 0.000 0.749 490 L CB -0.602 41.255 42.059 -0.337 0.000 0.901 490 L HN 0.178 nan 8.230 nan 0.000 0.433 491 F N -0.447 119.576 119.950 0.122 0.000 2.293 491 F HA 0.109 4.636 4.527 -0.000 0.000 0.297 491 F C 2.487 178.355 175.800 0.113 0.000 1.089 491 F CA 0.841 58.914 58.000 0.123 0.000 1.377 491 F CB -1.143 37.927 39.000 0.117 0.000 1.051 491 F HN 0.139 nan 8.300 nan 0.000 0.511 492 A N 0.091 123.080 122.820 0.280 0.000 1.940 492 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 492 A C 2.305 180.033 177.584 0.240 0.000 1.176 492 A CA 1.901 54.003 52.037 0.109 0.000 0.631 492 A CB -0.699 18.393 19.000 0.153 0.000 0.814 492 A HN 0.337 nan 8.150 nan 0.000 0.446 493 K N -0.595 119.894 120.400 0.148 0.000 2.062 493 K HA -0.077 4.243 4.320 -0.000 0.000 0.205 493 K C 2.204 178.870 176.600 0.110 0.000 1.051 493 K CA 1.153 57.498 56.287 0.097 0.000 0.941 493 K CB -0.146 32.366 32.500 0.020 0.000 0.719 493 K HN 0.418 nan 8.250 nan 0.000 0.440 494 R N -0.158 120.412 120.500 0.116 0.000 2.148 494 R HA 0.024 4.364 4.340 -0.000 0.000 0.223 494 R C 2.163 178.637 176.300 0.290 0.000 1.088 494 R CA 0.776 56.965 56.100 0.148 0.000 0.985 494 R CB -0.104 30.296 30.300 0.166 0.000 0.880 494 R HN 0.201 nan 8.270 nan 0.000 0.451 495 A N 0.598 123.618 122.820 0.333 0.000 2.076 495 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 495 A C 1.910 179.867 177.584 0.622 0.000 1.160 495 A CA 1.186 53.501 52.037 0.463 0.000 0.653 495 A CB -0.322 18.865 19.000 0.311 0.000 0.801 495 A HN 0.229 nan 8.150 nan 0.000 0.455 496 M N -0.286 119.538 119.600 0.373 0.000 2.618 496 M HA -0.003 4.477 4.480 -0.000 0.000 0.240 496 M C 1.141 177.340 176.300 -0.169 0.000 1.123 496 M CA 0.102 55.444 55.300 0.070 0.000 1.060 496 M CB -0.177 32.423 32.600 0.001 0.000 1.535 496 M HN 0.360 nan 8.290 nan 0.000 0.507 497 N N 0.528 119.282 118.700 0.090 0.000 2.272 497 N HA -0.197 4.542 4.740 -0.000 0.000 0.185 497 N C 1.456 177.033 175.510 0.112 0.000 1.014 497 N CA 1.366 54.467 53.050 0.085 0.000 0.870 497 N CB -0.413 38.178 38.487 0.172 0.000 0.975 497 N HN 0.641 nan 8.380 nan 0.000 0.433 498 Y N 0.888 121.350 120.300 0.270 0.000 2.365 498 Y HA -0.101 4.449 4.550 -0.000 0.000 0.287 498 Y C 1.769 177.776 175.900 0.178 0.000 1.162 498 Y CA 1.046 59.288 58.100 0.236 0.000 1.260 498 Y CB -0.547 38.054 38.460 0.234 0.000 0.976 498 Y HN -0.092 nan 8.280 nan 0.000 0.548 499 K N 0.502 120.651 120.400 -0.419 0.000 2.211 499 K HA -0.097 4.223 4.320 -0.000 0.000 0.203 499 K C 1.322 177.934 176.600 0.020 0.000 1.050 499 K CA 0.996 57.163 56.287 -0.200 0.000 0.945 499 K CB -0.217 32.070 32.500 -0.355 0.000 0.732 499 K HN 0.420 nan 8.250 nan 0.000 0.451 500 N N 0.865 119.572 118.700 0.012 0.000 2.453 500 N HA -0.082 4.658 4.740 -0.000 0.000 0.183 500 N C 1.196 176.689 175.510 -0.029 0.000 1.041 500 N CA 0.901 53.948 53.050 -0.004 0.000 0.900 500 N CB 0.180 38.697 38.487 0.051 0.000 0.961 500 N HN 0.223 nan 8.380 nan 0.000 0.443 501 L N -0.663 120.634 121.223 0.123 0.000 2.808 501 L HA 0.266 4.606 4.340 -0.000 0.000 0.246 501 L C -0.024 176.976 176.870 0.218 0.000 1.153 501 L CA -0.356 54.596 54.840 0.185 0.000 0.956 501 L CB 0.102 42.235 42.059 0.124 0.000 1.270 501 L HN -0.052 nan 8.230 nan 0.000 0.528 502 F N 1.851 121.856 119.950 0.093 0.000 2.438 502 F HA 0.189 4.716 4.527 -0.000 0.000 0.356 502 F C 0.446 176.119 175.800 -0.210 0.000 1.099 502 F CA -0.625 57.341 58.000 -0.056 0.000 1.185 502 F CB 0.604 39.603 39.000 -0.002 0.000 1.115 502 F HN -0.096 nan 8.300 nan 0.000 0.526 503 D N 6.122 125.885 120.400 -1.061 0.000 2.317 503 D HA 0.084 4.724 4.640 -0.000 0.000 0.234 503 D C 0.873 176.719 176.300 -0.757 0.000 1.112 503 D CA -0.344 53.024 54.000 -1.054 0.000 0.840 503 D CB 1.304 41.326 40.800 -1.296 0.000 1.078 503 D HN 0.739 nan 8.370 nan 0.000 0.486 504 K N 3.681 123.961 120.400 -0.201 0.000 2.097 504 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 504 K C 1.298 177.855 176.600 -0.070 0.000 1.049 504 K CA 0.997 57.322 56.287 0.064 0.000 0.933 504 K CB 0.123 32.699 32.500 0.125 0.000 0.717 504 K HN 0.456 nan 8.250 nan 0.000 0.442 505 E N 0.515 120.624 120.200 -0.153 0.000 2.047 505 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 505 E C 1.943 178.454 176.600 -0.148 0.000 0.987 505 E CA 1.722 58.051 56.400 -0.118 0.000 0.799 505 E CB 0.098 29.729 29.700 -0.115 0.000 0.752 505 E HN 0.562 nan 8.360 nan 0.000 0.449 506 S N -0.168 115.378 115.700 -0.257 0.000 2.470 506 S HA 0.049 4.519 4.470 -0.000 0.000 0.225 506 S C 0.811 175.211 174.600 -0.334 0.000 1.006 506 S CA 0.288 58.349 58.200 -0.231 0.000 0.934 506 S CB 0.166 63.274 63.200 -0.153 0.000 0.778 506 S HN 0.192 nan 8.310 nan 0.000 0.517 507 K N 0.212 120.331 120.400 -0.468 0.000 3.281 507 K HA -0.106 4.214 4.320 -0.000 0.000 0.295 507 K C -0.907 175.227 176.600 -0.776 0.000 1.233 507 K CA 0.551 56.543 56.287 -0.490 0.000 0.866 507 K CB -1.836 30.575 32.500 -0.148 0.000 1.265 507 K HN 0.450 nan 8.250 nan 0.000 0.482 508 L N 0.499 121.160 121.223 -0.937 0.000 2.354 508 L HA 0.497 4.837 4.340 -0.000 0.000 0.264 508 L C 0.393 176.817 176.870 -0.744 0.000 1.008 508 L CA -1.372 52.993 54.840 -0.792 0.000 0.819 508 L CB 1.454 43.133 42.059 -0.633 0.000 1.339 508 L HN -0.094 nan 8.230 nan 0.000 0.420 509 M N 2.303 121.633 119.600 -0.451 0.000 2.245 509 M HA 0.248 4.728 4.480 -0.000 0.000 0.344 509 M C -0.216 176.014 176.300 -0.116 0.000 1.170 509 M CA 0.650 55.836 55.300 -0.191 0.000 1.135 509 M CB 0.227 32.858 32.600 0.051 0.000 1.574 509 M HN 0.529 nan 8.290 nan 0.000 0.452 510 R N 0.658 121.035 120.500 -0.206 0.000 2.604 510 R HA 0.555 4.895 4.340 -0.000 0.000 0.270 510 R C -0.371 175.817 176.300 -0.186 0.000 1.052 510 R CA -0.519 55.360 56.100 -0.367 0.000 0.902 510 R CB 1.406 31.024 30.300 -1.138 0.000 1.233 510 R HN 0.870 nan 8.270 nan 0.000 0.455 511 G N 2.691 111.353 108.800 -0.230 0.000 2.414 511 G HA2 0.133 4.093 3.960 -0.000 0.000 0.236 511 G HA3 0.133 4.093 3.960 -0.000 0.000 0.236 511 G C -0.725 174.089 174.900 -0.143 0.000 1.293 511 G CA -0.200 44.793 45.100 -0.178 0.000 0.869 511 G HN 0.570 nan 8.290 nan 0.000 0.556 512 R N 1.641 122.081 120.500 -0.101 0.000 2.621 512 R HA 0.211 4.551 4.340 -0.000 0.000 0.292 512 R C -0.354 175.929 176.300 -0.029 0.000 0.969 512 R CA -0.876 55.066 56.100 -0.262 0.000 0.887 512 R CB 1.023 30.848 30.300 -0.791 0.000 1.180 512 R HN 0.586 nan 8.270 nan 0.000 0.450 513 N N 1.770 120.445 118.700 -0.043 0.000 2.424 513 N HA -0.056 4.684 4.740 -0.000 0.000 0.257 513 N C 0.613 176.208 175.510 0.142 0.000 1.250 513 N CA -0.015 53.077 53.050 0.070 0.000 0.946 513 N CB 1.052 39.551 38.487 0.021 0.000 1.175 513 N HN 0.717 nan 8.380 nan 0.000 0.477 514 E N 0.461 120.712 120.200 0.085 0.000 2.118 514 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 514 E C 0.431 177.073 176.600 0.069 0.000 0.992 514 E CA 1.380 57.813 56.400 0.056 0.000 0.804 514 E CB 0.063 29.770 29.700 0.011 0.000 0.741 514 E HN 0.593 nan 8.360 nan 0.000 0.458 515 D N -1.354 119.071 120.400 0.041 0.000 2.371 515 D HA -0.023 4.617 4.640 -0.000 0.000 0.221 515 D C 1.315 177.619 176.300 0.006 0.000 0.986 515 D CA 1.061 55.072 54.000 0.018 0.000 0.899 515 D CB 0.184 40.986 40.800 0.003 0.000 0.902 515 D HN 0.356 nan 8.370 nan 0.000 0.530 516 G N -0.502 108.309 108.800 0.018 0.000 2.213 516 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.226 516 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.226 516 G C 0.426 175.177 174.900 -0.248 0.000 0.992 516 G CA 0.228 45.288 45.100 -0.066 0.000 0.632 516 G HN 0.690 nan 8.290 nan 0.000 0.511 517 T N 0.332 114.777 114.554 -0.181 0.000 2.907 517 T HA 0.616 4.966 4.350 -0.000 0.000 0.298 517 T C 0.368 174.897 174.700 -0.284 0.000 1.017 517 T CA -0.529 61.450 62.100 -0.201 0.000 1.118 517 T CB 1.538 70.354 68.868 -0.087 0.000 0.948 517 T HN 0.204 nan 8.240 nan 0.000 0.531 518 F N 1.917 121.748 119.950 -0.198 0.000 2.496 518 F HA 0.180 4.707 4.527 -0.000 0.000 0.344 518 F C 1.272 176.906 175.800 -0.277 0.000 1.155 518 F CA -0.361 57.466 58.000 -0.289 0.000 1.302 518 F CB 0.546 39.339 39.000 -0.344 0.000 1.159 518 F HN 0.584 nan 8.300 nan 0.000 0.595 519 Q N 2.258 121.966 119.800 -0.152 0.000 2.352 519 Q HA 0.246 4.586 4.340 -0.000 0.000 0.260 519 Q C -0.978 174.911 176.000 -0.185 0.000 0.976 519 Q CA 0.085 55.712 55.803 -0.294 0.000 0.881 519 Q CB 1.201 29.440 28.738 -0.832 0.000 1.235 519 Q HN 0.727 nan 8.270 nan 0.000 0.419 520 S N 2.993 118.632 115.700 -0.101 0.000 2.715 520 S HA 0.610 5.080 4.470 -0.000 0.000 0.307 520 S C -2.470 172.132 174.600 0.003 0.000 1.119 520 S CA -0.995 57.190 58.200 -0.024 0.000 0.937 520 S CB 1.139 64.336 63.200 -0.005 0.000 1.150 520 S HN 0.813 nan 8.310 nan 0.000 0.521 521 P HA -0.125 nan 4.420 nan 0.000 0.267 521 P C -1.239 176.123 177.300 0.105 0.000 1.145 521 P CA 0.281 63.414 63.100 0.055 0.000 0.753 521 P CB -0.020 31.706 31.700 0.044 0.000 0.748 522 F N 2.738 122.642 119.950 -0.077 0.000 2.388 522 F HA 0.350 4.877 4.527 -0.000 0.000 0.358 522 F C -0.385 175.384 175.800 -0.051 0.000 1.122 522 F CA -1.208 56.733 58.000 -0.098 0.000 1.056 522 F CB 0.910 39.822 39.000 -0.146 0.000 1.155 522 F HN 0.172 nan 8.300 nan 0.000 0.461 523 S N 8.814 124.323 115.700 -0.318 0.000 2.532 523 S HA 0.282 4.752 4.470 -0.000 0.000 0.318 523 S C -2.000 172.250 174.600 -0.582 0.000 1.083 523 S CA -1.014 56.954 58.200 -0.387 0.000 1.131 523 S CB 1.293 64.439 63.200 -0.090 0.000 0.973 523 S HN 0.471 nan 8.310 nan 0.000 0.468 524 P HA -0.014 nan 4.420 nan 0.000 0.219 524 P C 0.662 177.865 177.300 -0.161 0.000 1.146 524 P CA 0.851 63.557 63.100 -0.656 0.000 0.808 524 P CB 0.102 31.509 31.700 -0.489 0.000 0.779 525 L N -1.662 119.540 121.223 -0.035 0.000 2.592 525 L HA 0.127 4.467 4.340 -0.000 0.000 0.227 525 L C 1.177 178.192 176.870 0.242 0.000 1.127 525 L CA -0.147 54.763 54.840 0.116 0.000 0.884 525 L CB -0.315 41.819 42.059 0.124 0.000 1.065 525 L HN -0.081 nan 8.230 nan 0.000 0.457 526 K N 0.411 120.914 120.400 0.172 0.000 2.298 526 K HA 0.081 4.401 4.320 -0.000 0.000 0.280 526 K C -1.142 175.701 176.600 0.405 0.000 1.032 526 K CA -0.521 55.957 56.287 0.318 0.000 0.958 526 K CB 0.645 33.275 32.500 0.218 0.000 0.978 526 K HN -0.123 nan 8.250 nan 0.000 0.472 527 W N 2.976 124.438 121.300 0.271 0.000 2.438 527 W HA 0.435 5.095 4.660 0.000 0.000 0.324 527 W C 0.783 177.486 176.519 0.307 0.000 1.119 527 W CA 0.876 58.428 57.345 0.345 0.000 1.221 527 W CB 1.067 30.782 29.460 0.426 0.000 1.253 527 W HN 0.996 nan 8.180 nan 0.000 0.555 528 G N 1.938 110.988 108.800 0.416 0.000 2.553 528 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.242 528 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.242 528 G C 0.345 174.947 174.900 -0.497 0.000 1.277 528 G CA 0.544 45.572 45.100 -0.121 0.000 0.910 528 G HN 0.696 nan 8.290 nan 0.000 0.576 529 D N -2.669 116.866 120.400 -1.441 0.000 4.529 529 D HA -0.213 4.427 4.640 -0.000 0.000 0.151 529 D C 2.165 178.177 176.300 -0.480 0.000 0.685 529 D CA 4.006 57.482 54.000 -0.874 0.000 1.198 529 D CB -1.589 39.015 40.800 -0.328 0.000 0.658 529 D HN 1.836 nan 8.370 nan 0.000 0.542 530 A N -0.252 122.375 122.820 -0.322 0.000 2.066 530 A HA 0.248 4.568 4.320 -0.000 0.000 0.218 530 A C 1.077 178.142 177.584 -0.864 0.000 1.157 530 A CA 1.309 53.010 52.037 -0.560 0.000 0.670 530 A CB -0.235 18.332 19.000 -0.723 0.000 0.804 530 A HN 0.239 nan 8.150 nan 0.000 0.453 531 F N -1.401 118.434 119.950 -0.191 0.000 2.661 531 F HA 0.522 5.049 4.527 -0.000 0.000 0.347 531 F C 0.583 176.301 175.800 -0.137 0.000 1.086 531 F CA -0.415 57.438 58.000 -0.246 0.000 1.016 531 F CB 1.266 40.188 39.000 -0.131 0.000 1.368 531 F HN -0.137 nan 8.300 nan 0.000 0.505 532 T N -2.102 112.578 114.554 0.211 0.000 2.791 532 T HA 0.424 4.774 4.350 -0.000 0.000 0.288 532 T C -0.658 174.288 174.700 0.409 0.000 0.999 532 T CA -0.613 61.637 62.100 0.250 0.000 0.952 532 T CB 0.738 69.680 68.868 0.124 0.000 0.938 532 T HN 0.681 nan 8.240 nan 0.000 0.444 533 E N 1.445 121.903 120.200 0.430 0.000 2.228 533 E HA -0.088 4.262 4.350 -0.000 0.000 0.213 533 E C 0.394 177.139 176.600 0.240 0.000 1.282 533 E CA 0.902 57.560 56.400 0.430 0.000 0.707 533 E CB -1.527 28.318 29.700 0.242 0.000 1.150 533 E HN 1.272 nan 8.360 nan 0.000 0.362 534 G N 0.132 108.951 108.800 0.031 0.000 2.328 534 G HA2 0.416 4.376 3.960 -0.000 0.000 0.295 534 G HA3 0.416 4.376 3.960 -0.000 0.000 0.295 534 G C -1.397 173.236 174.900 -0.444 0.000 1.413 534 G CA -0.377 44.442 45.100 -0.469 0.000 0.817 534 G HN 0.173 nan 8.290 nan 0.000 0.546 535 N N -1.573 116.721 118.700 -0.677 0.000 2.890 535 N HA 0.589 5.329 4.740 -0.000 0.000 0.317 535 N C 1.227 176.167 175.510 -0.949 0.000 1.355 535 N CA 0.093 52.755 53.050 -0.648 0.000 0.803 535 N CB 1.112 39.274 38.487 -0.541 0.000 1.465 535 N HN 0.501 nan 8.380 nan 0.000 0.591 536 S N -1.179 113.960 115.700 -0.935 0.000 2.387 536 S HA -0.146 4.324 4.470 -0.000 0.000 0.230 536 S C 0.909 175.090 174.600 -0.698 0.000 1.035 536 S CA 1.320 58.969 58.200 -0.919 0.000 1.014 536 S CB -0.579 62.386 63.200 -0.392 0.000 0.836 536 S HN 0.567 nan 8.310 nan 0.000 0.466 537 W N 0.693 121.628 121.300 -0.608 0.000 2.525 537 W HA 0.012 4.672 4.660 -0.000 0.000 0.259 537 W C 2.126 178.462 176.519 -0.305 0.000 1.253 537 W CA 1.055 58.123 57.345 -0.462 0.000 1.262 537 W CB -0.199 28.998 29.460 -0.438 0.000 1.122 537 W HN 0.593 nan 8.180 nan 0.000 0.607 538 H N -4.023 114.987 119.070 -0.099 0.000 2.439 538 H HA 0.007 4.563 4.556 -0.000 0.000 0.299 538 H C 1.368 176.617 175.328 -0.132 0.000 1.033 538 H CA 1.071 57.062 56.048 -0.095 0.000 1.348 538 H CB -0.368 29.217 29.762 -0.294 0.000 1.449 538 H HN 0.039 nan 8.280 nan 0.000 0.544 539 Y N 0.946 121.115 120.300 -0.219 0.000 2.457 539 Y HA -0.116 4.434 4.550 -0.000 0.000 0.292 539 Y C 2.302 178.092 175.900 -0.184 0.000 1.125 539 Y CA 0.804 58.824 58.100 -0.133 0.000 1.254 539 Y CB 0.250 38.634 38.460 -0.128 0.000 1.012 539 Y HN 0.118 nan 8.280 nan 0.000 0.555 540 T N -0.790 113.555 114.554 -0.349 0.000 2.869 540 T HA -0.248 4.102 4.350 -0.000 0.000 0.270 540 T C 0.837 175.204 174.700 -0.555 0.000 1.082 540 T CA 1.661 63.439 62.100 -0.536 0.000 1.123 540 T CB -0.477 67.824 68.868 -0.945 0.000 0.856 540 T HN 0.500 nan 8.240 nan 0.000 0.499 541 W N 1.287 122.533 121.300 -0.090 0.000 3.180 541 W HA 0.260 4.920 4.660 -0.000 0.000 0.254 541 W C 1.051 177.486 176.519 -0.139 0.000 1.318 541 W CA -0.534 56.746 57.345 -0.109 0.000 1.608 541 W CB -0.238 29.102 29.460 -0.200 0.000 1.124 541 W HN -0.052 nan 8.180 nan 0.000 0.694 542 S N 1.321 116.983 115.700 -0.063 0.000 4.183 542 S HA 0.218 4.688 4.470 -0.000 0.000 0.195 542 S C 0.171 174.489 174.600 -0.469 0.000 1.421 542 S CA 0.044 57.992 58.200 -0.421 0.000 0.920 542 S CB -0.360 62.868 63.200 0.047 0.000 1.525 542 S HN -0.050 nan 8.310 nan 0.000 0.447 543 V N 2.876 122.424 119.914 -0.610 0.000 2.502 543 V HA 0.204 4.324 4.120 -0.000 0.000 0.261 543 V C 0.333 176.175 176.094 -0.421 0.000 0.996 543 V CA -0.468 61.556 62.300 -0.460 0.000 1.095 543 V CB -0.647 30.780 31.823 -0.659 0.000 1.325 543 V HN 0.640 nan 8.190 nan 0.000 0.574 544 F N 0.527 120.367 119.950 -0.183 0.000 2.202 544 F HA -0.181 4.346 4.527 -0.000 0.000 0.301 544 F C 2.475 178.140 175.800 -0.224 0.000 1.082 544 F CA 1.959 59.771 58.000 -0.314 0.000 1.313 544 F CB -0.437 38.167 39.000 -0.660 0.000 1.024 544 F HN 0.635 nan 8.300 nan 0.000 0.495 545 H N -2.245 116.704 119.070 -0.202 0.000 2.553 545 H HA 0.181 4.737 4.556 -0.000 0.000 0.265 545 H C -0.232 175.010 175.328 -0.144 0.000 0.964 545 H CA 0.726 56.495 56.048 -0.465 0.000 1.156 545 H CB -0.236 28.799 29.762 -1.212 0.000 1.411 545 H HN 0.208 nan 8.280 nan 0.000 0.558 546 D N 0.290 120.363 120.400 -0.544 0.000 2.968 546 D HA 0.228 4.868 4.640 -0.000 0.000 0.301 546 D C -2.106 173.965 176.300 -0.381 0.000 1.226 546 D CA -1.807 51.960 54.000 -0.389 0.000 0.746 546 D CB 0.931 41.498 40.800 -0.388 0.000 1.278 546 D HN -0.013 nan 8.370 nan 0.000 0.544 547 P HA -0.157 nan 4.420 nan 0.000 0.216 547 P C 1.369 178.481 177.300 -0.314 0.000 1.150 547 P CA 0.982 63.838 63.100 -0.407 0.000 0.837 547 P CB 0.441 31.667 31.700 -0.790 0.000 0.786 548 Q N 0.083 119.772 119.800 -0.184 0.000 2.124 548 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 548 Q C 2.166 178.074 176.000 -0.154 0.000 0.977 548 Q CA 2.239 57.946 55.803 -0.160 0.000 0.850 548 Q CB -1.571 27.113 28.738 -0.089 0.000 0.901 548 Q HN 0.160 nan 8.270 nan 0.000 0.429 549 G N 0.674 109.401 108.800 -0.121 0.000 2.440 549 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 549 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 549 G C 1.318 176.182 174.900 -0.060 0.000 1.154 549 G CA 1.012 46.095 45.100 -0.028 0.000 0.767 549 G HN 0.421 nan 8.290 nan 0.000 0.552 550 L N 0.720 121.854 121.223 -0.148 0.000 2.056 550 L HA 0.142 4.482 4.340 -0.000 0.000 0.207 550 L C 2.694 179.529 176.870 -0.058 0.000 1.078 550 L CA 1.205 55.984 54.840 -0.101 0.000 0.749 550 L CB -0.481 41.538 42.059 -0.068 0.000 0.901 550 L HN 0.266 nan 8.230 nan 0.000 0.433 551 I N -0.181 120.269 120.570 -0.200 0.000 2.194 551 I HA -0.339 3.831 4.170 -0.000 0.000 0.246 551 I C 2.053 178.127 176.117 -0.071 0.000 1.093 551 I CA 1.514 62.680 61.300 -0.223 0.000 1.355 551 I CB -0.540 37.186 38.000 -0.457 0.000 1.046 551 I HN 0.315 nan 8.210 nan 0.000 0.413 552 D N 0.835 121.168 120.400 -0.111 0.000 2.097 552 D HA -0.150 4.490 4.640 -0.000 0.000 0.195 552 D C 2.232 178.446 176.300 -0.143 0.000 0.989 552 D CA 1.388 55.329 54.000 -0.098 0.000 0.827 552 D CB -0.441 40.301 40.800 -0.097 0.000 0.966 552 D HN 0.300 nan 8.370 nan 0.000 0.456 553 L N -0.292 120.764 121.223 -0.279 0.000 2.191 553 L HA -0.073 4.267 4.340 -0.000 0.000 0.212 553 L C 2.420 179.061 176.870 -0.382 0.000 1.103 553 L CA 0.927 55.414 54.840 -0.588 0.000 0.769 553 L CB -0.494 40.717 42.059 -1.414 0.000 0.908 553 L HN -0.050 nan 8.230 nan 0.000 0.438 554 M N -0.341 119.205 119.600 -0.090 0.000 2.595 554 M HA 0.183 4.663 4.480 -0.000 0.000 0.248 554 M C 0.929 177.307 176.300 0.130 0.000 1.119 554 M CA 0.728 56.130 55.300 0.170 0.000 1.079 554 M CB 0.234 33.005 32.600 0.285 0.000 1.472 554 M HN 0.427 nan 8.290 nan 0.000 0.501 555 G N 1.255 110.091 108.800 0.061 0.000 2.392 555 G HA2 0.108 4.068 3.960 -0.000 0.000 0.215 555 G HA3 0.108 4.068 3.960 -0.000 0.000 0.215 555 G C 0.220 175.162 174.900 0.071 0.000 1.097 555 G CA -0.167 44.967 45.100 0.056 0.000 0.840 555 G HN 0.877 nan 8.290 nan 0.000 0.492 556 G N -0.344 108.490 108.800 0.057 0.000 2.746 556 G HA2 0.178 4.138 3.960 -0.000 0.000 0.685 556 G HA3 0.178 4.138 3.960 -0.000 0.000 0.685 556 G C 0.891 175.860 174.900 0.115 0.000 1.350 556 G CA 0.426 45.562 45.100 0.060 0.000 0.837 556 G HN 1.610 nan 8.290 nan 0.000 0.564 557 K N -0.045 120.413 120.400 0.095 0.000 2.097 557 K HA -0.065 4.255 4.320 -0.000 0.000 0.206 557 K C 1.860 178.600 176.600 0.234 0.000 1.049 557 K CA 2.175 58.552 56.287 0.150 0.000 0.933 557 K CB -0.104 32.451 32.500 0.093 0.000 0.717 557 K HN 0.474 nan 8.250 nan 0.000 0.442 558 E N 1.343 121.647 120.200 0.174 0.000 2.058 558 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 558 E C 2.082 178.796 176.600 0.190 0.000 0.997 558 E CA 1.804 58.307 56.400 0.172 0.000 0.801 558 E CB -0.301 29.477 29.700 0.130 0.000 0.746 558 E HN 0.282 nan 8.360 nan 0.000 0.450 559 M N -0.665 119.045 119.600 0.182 0.000 2.159 559 M HA -0.088 4.392 4.480 -0.000 0.000 0.263 559 M C 1.887 178.322 176.300 0.225 0.000 1.063 559 M CA 1.119 56.526 55.300 0.178 0.000 1.110 559 M CB -0.135 32.556 32.600 0.152 0.000 1.374 559 M HN 0.127 nan 8.290 nan 0.000 0.411 560 F N -0.043 119.981 119.950 0.123 0.000 2.075 560 F HA -0.217 4.310 4.527 -0.000 0.000 0.297 560 F C 1.954 177.854 175.800 0.166 0.000 1.113 560 F CA 1.592 59.684 58.000 0.154 0.000 1.218 560 F CB -0.282 38.791 39.000 0.123 0.000 0.984 560 F HN -0.198 nan 8.300 nan 0.000 0.472 561 V N -0.157 119.935 119.914 0.297 0.000 2.343 561 V HA -0.311 3.809 4.120 -0.000 0.000 0.247 561 V C 2.310 178.496 176.094 0.153 0.000 1.051 561 V CA 2.348 64.773 62.300 0.208 0.000 1.036 561 V CB -1.111 30.889 31.823 0.295 0.000 0.654 561 V HN 0.444 nan 8.190 nan 0.000 0.451 562 T N -0.309 114.339 114.554 0.158 0.000 2.720 562 T HA -0.303 4.047 4.350 -0.000 0.000 0.268 562 T C 1.872 176.657 174.700 0.141 0.000 1.037 562 T CA 2.274 64.462 62.100 0.145 0.000 1.144 562 T CB -0.317 68.632 68.868 0.136 0.000 0.864 562 T HN 0.308 nan 8.240 nan 0.000 0.444 563 M N 0.568 120.244 119.600 0.127 0.000 2.086 563 M HA 0.043 4.523 4.480 -0.000 0.000 0.261 563 M C 2.135 178.581 176.300 0.243 0.000 1.067 563 M CA 1.588 57.009 55.300 0.202 0.000 1.116 563 M CB -0.451 32.227 32.600 0.130 0.000 1.348 563 M HN 0.173 nan 8.290 nan 0.000 0.407 564 M N -0.389 119.195 119.600 -0.025 0.000 2.065 564 M HA -0.262 4.218 4.480 -0.000 0.000 0.259 564 M C 1.688 177.975 176.300 -0.021 0.000 1.069 564 M CA 1.857 56.982 55.300 -0.292 0.000 1.110 564 M CB -1.107 31.059 32.600 -0.723 0.000 1.328 564 M HN 0.212 nan 8.290 nan 0.000 0.405 565 D N 0.568 121.061 120.400 0.155 0.000 2.158 565 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 565 D C 2.036 178.431 176.300 0.160 0.000 0.995 565 D CA 1.917 56.076 54.000 0.265 0.000 0.846 565 D CB -0.273 40.669 40.800 0.238 0.000 0.941 565 D HN 0.428 nan 8.370 nan 0.000 0.456 566 S N -0.342 115.400 115.700 0.069 0.000 2.481 566 S HA -0.046 4.424 4.470 -0.000 0.000 0.231 566 S C 2.154 176.591 174.600 -0.272 0.000 0.996 566 S CA 0.237 58.404 58.200 -0.056 0.000 0.942 566 S CB -0.266 62.915 63.200 -0.032 0.000 0.768 566 S HN 0.058 nan 8.310 nan 0.000 0.520 567 V N 1.002 120.747 119.914 -0.281 0.000 2.332 567 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 567 V C 2.070 177.831 176.094 -0.555 0.000 1.055 567 V CA 1.947 63.948 62.300 -0.498 0.000 1.038 567 V CB -0.960 30.541 31.823 -0.537 0.000 0.651 567 V HN 0.541 nan 8.190 nan 0.000 0.450 568 F N 0.140 119.906 119.950 -0.306 0.000 2.416 568 F HA 0.170 4.697 4.527 -0.000 0.000 0.296 568 F C 2.270 177.989 175.800 -0.135 0.000 1.099 568 F CA 0.929 58.734 58.000 -0.325 0.000 1.427 568 F CB -0.637 37.958 39.000 -0.675 0.000 1.079 568 F HN 0.080 nan 8.300 nan 0.000 0.536 569 A N 0.165 123.016 122.820 0.051 0.000 2.021 569 A HA 0.141 4.461 4.320 -0.000 0.000 0.216 569 A C 1.041 178.614 177.584 -0.018 0.000 1.163 569 A CA 0.688 52.760 52.037 0.058 0.000 0.676 569 A CB -0.932 18.106 19.000 0.063 0.000 0.818 569 A HN 0.080 nan 8.150 nan 0.000 0.453 570 V N -1.836 118.008 119.914 -0.117 0.000 2.732 570 V HA 0.469 4.589 4.120 -0.000 0.000 0.297 570 V C -2.562 173.479 176.094 -0.089 0.000 1.060 570 V CA -2.524 59.695 62.300 -0.135 0.000 1.038 570 V CB 0.755 32.416 31.823 -0.271 0.000 1.003 570 V HN 0.223 nan 8.190 nan 0.000 0.481 571 P HA 0.210 nan 4.420 nan 0.000 0.269 571 P C -2.586 174.711 177.300 -0.005 0.000 1.217 571 P CA -1.400 61.694 63.100 -0.010 0.000 0.783 571 P CB -0.337 31.362 31.700 -0.002 0.000 0.898 572 P HA 0.151 nan 4.420 nan 0.000 0.220 572 P C -0.041 177.380 177.300 0.202 0.000 1.806 572 P CA -0.235 62.929 63.100 0.107 0.000 0.976 572 P CB -0.335 31.430 31.700 0.109 0.000 1.952 573 I N 2.834 123.486 120.570 0.135 0.000 2.764 573 I HA 0.525 4.695 4.170 -0.000 0.000 0.294 573 I C -0.210 176.066 176.117 0.265 0.000 1.045 573 I CA -1.598 59.776 61.300 0.123 0.000 1.340 573 I CB -0.124 37.868 38.000 -0.013 0.000 1.436 573 I HN 0.114 nan 8.210 nan 0.000 0.567 574 F N 3.158 123.151 119.950 0.071 0.000 2.713 574 F HA 0.542 5.069 4.527 -0.000 0.000 0.311 574 F C -1.628 174.235 175.800 0.104 0.000 1.141 574 F CA -1.159 56.930 58.000 0.148 0.000 0.939 574 F CB 1.079 40.131 39.000 0.087 0.000 1.325 574 F HN 0.369 nan 8.300 nan 0.000 0.453 575 D N 1.404 122.025 120.400 0.368 0.000 2.505 575 D HA 0.226 4.866 4.640 -0.000 0.000 0.250 575 D C -0.659 175.880 176.300 0.399 0.000 1.164 575 D CA -0.398 53.742 54.000 0.234 0.000 0.870 575 D CB 1.355 42.263 40.800 0.180 0.000 1.160 575 D HN 0.703 nan 8.370 nan 0.000 0.549 576 D N 1.496 122.110 120.400 0.356 0.000 2.368 576 D HA -0.054 4.586 4.640 -0.000 0.000 0.218 576 D C 1.055 177.549 176.300 0.322 0.000 1.112 576 D CA -0.111 54.118 54.000 0.382 0.000 0.834 576 D CB -0.049 40.945 40.800 0.323 0.000 0.953 576 D HN 0.224 nan 8.370 nan 0.000 0.505 577 S N -0.016 115.830 115.700 0.243 0.000 2.402 577 S HA -0.304 4.166 4.470 -0.000 0.000 0.233 577 S C 1.863 176.561 174.600 0.163 0.000 1.030 577 S CA 0.752 59.054 58.200 0.170 0.000 1.003 577 S CB -1.078 62.204 63.200 0.136 0.000 0.813 577 S HN 0.449 nan 8.310 nan 0.000 0.477 578 Y N 1.245 121.574 120.300 0.050 0.000 2.421 578 Y HA -0.009 4.541 4.550 0.000 0.000 0.292 578 Y C 1.405 177.164 175.900 -0.236 0.000 1.136 578 Y CA 0.838 58.863 58.100 -0.126 0.000 1.255 578 Y CB -0.173 38.152 38.460 -0.225 0.000 0.991 578 Y HN 0.263 nan 8.280 nan 0.000 0.552 579 Y N -1.347 118.987 120.300 0.057 0.000 2.462 579 Y HA 0.306 4.856 4.550 -0.000 0.000 0.253 579 Y C 2.133 178.019 175.900 -0.024 0.000 1.095 579 Y CA 0.309 58.389 58.100 -0.034 0.000 1.283 579 Y CB 0.320 38.807 38.460 0.046 0.000 1.138 579 Y HN 0.101 nan 8.280 nan 0.000 0.522 580 G N 0.497 109.383 108.800 0.144 0.000 2.328 580 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.256 580 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.256 580 G C 0.294 175.260 174.900 0.109 0.000 1.014 580 G CA 0.748 45.905 45.100 0.095 0.000 0.620 580 G HN 0.466 nan 8.290 nan 0.000 0.530 581 Q N -0.980 118.899 119.800 0.133 0.000 2.456 581 Q HA 0.659 4.999 4.340 -0.000 0.000 0.284 581 Q C -0.688 175.337 176.000 0.042 0.000 1.061 581 Q CA -0.903 54.956 55.803 0.094 0.000 0.799 581 Q CB 2.001 30.798 28.738 0.098 0.000 1.445 581 Q HN 0.382 nan 8.270 nan 0.000 0.411 582 V N 3.723 123.639 119.914 0.003 0.000 2.242 582 V HA 0.094 4.214 4.120 -0.000 0.000 0.242 582 V C 0.794 176.744 176.094 -0.241 0.000 1.240 582 V CA -0.166 62.048 62.300 -0.142 0.000 1.211 582 V CB -1.705 30.055 31.823 -0.105 0.000 1.338 582 V HN 0.649 nan 8.190 nan 0.000 0.499 583 I N 0.697 121.052 120.570 -0.359 0.000 3.094 583 I HA 0.046 4.216 4.170 -0.000 0.000 0.291 583 I C 1.859 177.715 176.117 -0.435 0.000 1.250 583 I CA 0.068 61.121 61.300 -0.412 0.000 1.401 583 I CB 0.129 37.745 38.000 -0.639 0.000 1.343 583 I HN 0.727 nan 8.210 nan 0.000 0.599 584 H N 2.370 121.225 119.070 -0.359 0.000 2.390 584 H HA -0.188 4.368 4.556 -0.000 0.000 0.298 584 H C 1.522 176.700 175.328 -0.250 0.000 1.106 584 H CA 1.707 57.599 56.048 -0.259 0.000 1.297 584 H CB -0.492 29.164 29.762 -0.176 0.000 1.375 584 H HN 0.756 nan 8.280 nan 0.000 0.509 585 E N 1.073 120.770 120.200 -0.839 0.000 2.268 585 E HA -0.110 4.240 4.350 -0.000 0.000 0.195 585 E C 2.151 178.483 176.600 -0.448 0.000 0.995 585 E CA 1.144 57.244 56.400 -0.501 0.000 0.836 585 E CB -0.192 29.264 29.700 -0.408 0.000 0.763 585 E HN 0.647 nan 8.360 nan 0.000 0.491 586 I N 0.850 120.949 120.570 -0.785 0.000 2.277 586 I HA -0.166 4.004 4.170 -0.000 0.000 0.243 586 I C 2.787 178.505 176.117 -0.664 0.000 1.094 586 I CA 0.673 61.309 61.300 -1.107 0.000 1.393 586 I CB -0.149 36.909 38.000 -1.570 0.000 1.078 586 I HN 0.018 nan 8.210 nan 0.000 0.417 587 R N 1.715 121.923 120.500 -0.486 0.000 2.083 587 R HA -0.206 4.134 4.340 -0.000 0.000 0.237 587 R C 1.979 178.175 176.300 -0.172 0.000 1.137 587 R CA 1.802 57.733 56.100 -0.281 0.000 0.951 587 R CB -0.454 29.746 30.300 -0.167 0.000 0.851 587 R HN 0.343 nan 8.270 nan 0.000 0.434 588 E N -0.354 119.762 120.200 -0.139 0.000 2.171 588 E HA -0.256 4.094 4.350 -0.000 0.000 0.197 588 E C 1.927 178.487 176.600 -0.067 0.000 0.997 588 E CA 1.621 57.981 56.400 -0.067 0.000 0.810 588 E CB -0.233 29.448 29.700 -0.032 0.000 0.738 588 E HN 0.413 nan 8.360 nan 0.000 0.467 589 M N 0.741 120.285 119.600 -0.093 0.000 2.123 589 M HA -0.149 4.331 4.480 -0.000 0.000 0.263 589 M C 2.516 178.805 176.300 -0.018 0.000 1.069 589 M CA 1.942 57.221 55.300 -0.035 0.000 1.133 589 M CB -0.290 32.341 32.600 0.050 0.000 1.356 589 M HN 0.203 nan 8.290 nan 0.000 0.415 590 T N -0.820 113.699 114.554 -0.058 0.000 2.720 590 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 590 T C 1.568 176.277 174.700 0.014 0.000 1.037 590 T CA 1.954 64.051 62.100 -0.006 0.000 1.144 590 T CB -1.612 67.248 68.868 -0.013 0.000 0.864 590 T HN 0.430 nan 8.240 nan 0.000 0.444 591 V N -1.084 118.827 119.914 -0.004 0.000 2.809 591 V HA 0.086 4.206 4.120 -0.000 0.000 0.256 591 V C 2.457 178.564 176.094 0.022 0.000 1.080 591 V CA 1.013 63.319 62.300 0.010 0.000 1.102 591 V CB -1.082 30.743 31.823 0.002 0.000 0.705 591 V HN 0.268 nan 8.190 nan 0.000 0.475 592 M N 0.646 120.261 119.600 0.025 0.000 2.492 592 M HA 0.118 4.598 4.480 -0.000 0.000 0.262 592 M C 1.259 177.599 176.300 0.067 0.000 1.090 592 M CA 0.686 56.010 55.300 0.041 0.000 1.110 592 M CB -1.940 30.685 32.600 0.043 0.000 1.407 592 M HN 0.834 nan 8.290 nan 0.000 0.470 593 N N 0.934 119.675 118.700 0.069 0.000 2.738 593 N HA -0.178 4.562 4.740 -0.000 0.000 0.249 593 N C -0.715 174.872 175.510 0.129 0.000 1.047 593 N CA 0.126 53.227 53.050 0.085 0.000 0.707 593 N CB -0.479 38.053 38.487 0.076 0.000 0.937 593 N HN 0.358 nan 8.380 nan 0.000 0.545 594 M N 0.848 120.531 119.600 0.138 0.000 3.200 594 M HA 0.215 4.695 4.480 -0.000 0.000 0.335 594 M C 1.064 177.435 176.300 0.119 0.000 1.446 594 M CA 0.274 55.696 55.300 0.203 0.000 0.691 594 M CB 0.918 33.685 32.600 0.278 0.000 1.409 594 M HN 0.410 nan 8.290 nan 0.000 0.488 595 G N 1.826 110.667 108.800 0.069 0.000 2.596 595 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.295 595 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.295 595 G C 0.352 175.231 174.900 -0.034 0.000 1.240 595 G CA 0.280 45.368 45.100 -0.019 0.000 0.985 595 G HN 0.627 nan 8.290 nan 0.000 0.555 596 N N 0.159 118.783 118.700 -0.126 0.000 2.276 596 N HA 0.075 4.815 4.740 -0.000 0.000 0.212 596 N C -0.036 175.472 175.510 -0.003 0.000 1.127 596 N CA -0.006 53.031 53.050 -0.022 0.000 0.834 596 N CB 0.182 38.596 38.487 -0.123 0.000 1.014 596 N HN 0.431 nan 8.380 nan 0.000 0.491 597 Y N 2.091 122.223 120.300 -0.280 0.000 2.620 597 Y HA 0.219 4.769 4.550 0.000 0.000 0.352 597 Y C 0.220 176.015 175.900 -0.175 0.000 1.140 597 Y CA -0.975 56.922 58.100 -0.337 0.000 1.529 597 Y CB -0.239 37.916 38.460 -0.509 0.000 1.321 597 Y HN -0.027 nan 8.280 nan 0.000 0.501 598 A N 5.765 128.208 122.820 -0.629 0.000 3.056 598 A HA 0.075 4.395 4.320 -0.000 0.000 0.274 598 A C 1.422 178.605 177.584 -0.669 0.000 1.661 598 A CA -0.268 51.449 52.037 -0.533 0.000 1.363 598 A CB -0.997 17.686 19.000 -0.529 0.000 1.139 598 A HN 0.987 nan 8.150 nan 0.000 0.598 599 H N 1.845 120.401 119.070 -0.858 0.000 2.489 599 H HA -0.139 4.417 4.556 -0.000 0.000 0.293 599 H C 1.925 176.990 175.328 -0.437 0.000 1.066 599 H CA 1.637 57.230 56.048 -0.759 0.000 1.305 599 H CB 0.203 29.645 29.762 -0.534 0.000 1.386 599 H HN 0.661 nan 8.280 nan 0.000 0.551 600 G N 0.044 108.679 108.800 -0.275 0.000 2.586 600 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.215 600 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.215 600 G C 0.430 175.224 174.900 -0.176 0.000 1.128 600 G CA 0.190 45.185 45.100 -0.175 0.000 0.774 600 G HN 0.282 nan 8.290 nan 0.000 0.543 601 N N -2.084 116.456 118.700 -0.265 0.000 2.357 601 N HA 0.369 5.109 4.740 -0.000 0.000 0.284 601 N C 0.758 176.130 175.510 -0.230 0.000 1.236 601 N CA -0.668 52.286 53.050 -0.160 0.000 0.774 601 N CB 1.738 40.186 38.487 -0.065 0.000 1.534 601 N HN -0.194 nan 8.380 nan 0.000 0.478 602 Q N 0.661 120.390 119.800 -0.119 0.000 2.079 602 Q HA 0.071 4.411 4.340 -0.000 0.000 0.200 602 Q C -1.135 174.695 176.000 -0.282 0.000 0.974 602 Q CA 1.823 57.469 55.803 -0.261 0.000 0.840 602 Q CB -0.808 27.671 28.738 -0.433 0.000 0.898 602 Q HN 0.595 nan 8.270 nan 0.000 0.430 603 P HA -0.155 nan 4.420 nan 0.000 0.216 603 P C 0.783 178.004 177.300 -0.132 0.000 1.150 603 P CA 1.154 64.077 63.100 -0.295 0.000 0.837 603 P CB 0.074 31.444 31.700 -0.551 0.000 0.786 604 I N -1.094 119.345 120.570 -0.218 0.000 3.793 604 I HA -0.011 4.159 4.170 -0.000 0.000 0.315 604 I C 1.637 177.661 176.117 -0.155 0.000 1.275 604 I CA 0.383 61.558 61.300 -0.207 0.000 1.214 604 I CB -0.135 37.664 38.000 -0.335 0.000 1.018 604 I HN -0.089 nan 8.210 nan 0.000 0.439 605 Q N -0.103 119.645 119.800 -0.088 0.000 2.364 605 Q HA -0.190 4.150 4.340 -0.000 0.000 0.207 605 Q C 1.605 177.791 176.000 0.310 0.000 0.970 605 Q CA 1.057 56.839 55.803 -0.036 0.000 0.888 605 Q CB 0.009 28.638 28.738 -0.181 0.000 0.951 605 Q HN 0.701 nan 8.270 nan 0.000 0.469 606 H N -1.331 117.871 119.070 0.220 0.000 2.592 606 H HA 0.133 4.689 4.556 -0.000 0.000 0.265 606 H C 1.752 177.235 175.328 0.260 0.000 0.955 606 H CA 0.051 56.260 56.048 0.270 0.000 1.175 606 H CB -0.232 29.766 29.762 0.393 0.000 1.433 606 H HN 0.180 nan 8.280 nan 0.000 0.537 607 M N 1.433 120.746 119.600 -0.478 0.000 2.080 607 M HA -0.140 4.340 4.480 -0.000 0.000 0.260 607 M C 1.830 177.948 176.300 -0.302 0.000 1.068 607 M CA 1.559 56.510 55.300 -0.581 0.000 1.109 607 M CB -0.264 31.930 32.600 -0.678 0.000 1.342 607 M HN 0.217 nan 8.290 nan 0.000 0.405 608 I N -0.368 120.129 120.570 -0.121 0.000 2.315 608 I HA -0.344 3.826 4.170 -0.000 0.000 0.251 608 I C 1.910 178.048 176.117 0.035 0.000 1.125 608 I CA 1.571 62.835 61.300 -0.060 0.000 1.392 608 I CB -0.684 37.281 38.000 -0.059 0.000 1.065 608 I HN 0.321 nan 8.210 nan 0.000 0.424 609 Y N -0.192 120.191 120.300 0.139 0.000 2.421 609 Y HA -0.193 4.357 4.550 -0.000 0.000 0.292 609 Y C 2.216 178.298 175.900 0.303 0.000 1.136 609 Y CA 0.453 58.697 58.100 0.239 0.000 1.255 609 Y CB -0.162 38.459 38.460 0.269 0.000 0.991 609 Y HN 0.089 nan 8.280 nan 0.000 0.552 610 L N -1.282 120.103 121.223 0.270 0.000 2.187 610 L HA -0.258 4.082 4.340 -0.000 0.000 0.213 610 L C 1.758 178.824 176.870 0.328 0.000 1.100 610 L CA 1.459 56.437 54.840 0.229 0.000 0.765 610 L CB -1.449 40.638 42.059 0.047 0.000 0.904 610 L HN 0.269 nan 8.230 nan 0.000 0.437 611 Y N 0.114 120.545 120.300 0.219 0.000 2.241 611 Y HA -0.281 4.269 4.550 -0.000 0.000 0.286 611 Y C 2.369 178.355 175.900 0.143 0.000 1.166 611 Y CA 1.440 59.626 58.100 0.143 0.000 1.203 611 Y CB -0.565 37.899 38.460 0.006 0.000 0.977 611 Y HN 0.276 nan 8.280 nan 0.000 0.529 612 D N -1.455 119.172 120.400 0.379 0.000 2.144 612 D HA -0.193 4.447 4.640 -0.000 0.000 0.199 612 D C 1.767 178.177 176.300 0.184 0.000 0.984 612 D CA 1.401 55.552 54.000 0.252 0.000 0.834 612 D CB -0.528 40.424 40.800 0.254 0.000 0.955 612 D HN 0.366 nan 8.370 nan 0.000 0.465 613 Y N 0.256 120.622 120.300 0.111 0.000 2.509 613 Y HA 0.120 4.670 4.550 -0.000 0.000 0.293 613 Y C 1.994 177.869 175.900 -0.042 0.000 1.133 613 Y CA 0.652 58.764 58.100 0.021 0.000 1.283 613 Y CB -0.121 38.311 38.460 -0.047 0.000 1.001 613 Y HN -0.072 nan 8.280 nan 0.000 0.555 614 A N -0.769 122.145 122.820 0.157 0.000 2.423 614 A HA 0.519 4.839 4.320 -0.000 0.000 0.246 614 A C 1.742 179.382 177.584 0.094 0.000 1.278 614 A CA 0.419 52.511 52.037 0.092 0.000 0.903 614 A CB -0.823 18.300 19.000 0.205 0.000 0.997 614 A HN 0.467 nan 8.150 nan 0.000 0.510 615 G N -0.536 108.310 108.800 0.076 0.000 2.176 615 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.252 615 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.252 615 G C -0.005 174.855 174.900 -0.067 0.000 1.024 615 G CA 0.447 45.584 45.100 0.063 0.000 0.755 615 G HN 0.602 nan 8.290 nan 0.000 0.507 616 Q N -0.766 118.867 119.800 -0.278 0.000 2.805 616 Q HA 0.183 4.523 4.340 -0.000 0.000 0.360 616 Q C -1.620 173.885 176.000 -0.824 0.000 0.832 616 Q CA -1.404 53.731 55.803 -1.112 0.000 1.020 616 Q CB 1.714 29.867 28.738 -0.974 0.000 1.444 616 Q HN 0.337 nan 8.270 nan 0.000 0.391 617 P HA -0.195 nan 4.420 nan 0.000 0.219 617 P C 0.848 178.180 177.300 0.053 0.000 1.146 617 P CA 1.161 64.269 63.100 0.013 0.000 0.808 617 P CB -0.134 31.671 31.700 0.175 0.000 0.779 618 W N 1.273 122.642 121.300 0.115 0.000 2.374 618 W HA 0.040 4.700 4.660 -0.000 0.000 0.288 618 W C 1.831 178.450 176.519 0.168 0.000 1.218 618 W CA 0.851 58.300 57.345 0.174 0.000 1.245 618 W CB -1.469 28.007 29.460 0.026 0.000 1.126 618 W HN -0.157 nan 8.180 nan 0.000 0.545 619 K N 0.669 120.768 120.400 -0.501 0.000 2.103 619 K HA -0.024 4.296 4.320 -0.000 0.000 0.204 619 K C 2.483 178.878 176.600 -0.341 0.000 1.052 619 K CA 1.360 57.322 56.287 -0.542 0.000 0.945 619 K CB -0.439 31.330 32.500 -1.218 0.000 0.722 619 K HN 0.247 nan 8.250 nan 0.000 0.443 620 A N 1.492 124.194 122.820 -0.197 0.000 1.902 620 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 620 A C 2.040 179.631 177.584 0.012 0.000 1.181 620 A CA 1.337 53.400 52.037 0.044 0.000 0.623 620 A CB -0.467 18.604 19.000 0.119 0.000 0.818 620 A HN 0.286 nan 8.150 nan 0.000 0.443 621 Q N -1.831 118.021 119.800 0.086 0.000 2.061 621 Q HA -0.239 4.101 4.340 -0.000 0.000 0.204 621 Q C 2.014 177.995 176.000 -0.032 0.000 0.984 621 Q CA 2.055 57.915 55.803 0.095 0.000 0.846 621 Q CB -0.468 28.428 28.738 0.265 0.000 0.902 621 Q HN 0.847 nan 8.270 nan 0.000 0.421 622 Y N -0.510 119.715 120.300 -0.126 0.000 2.097 622 Y HA -0.286 4.264 4.550 -0.000 0.000 0.282 622 Y C 1.584 177.097 175.900 -0.644 0.000 1.152 622 Y CA 1.753 59.592 58.100 -0.434 0.000 1.136 622 Y CB -0.349 37.891 38.460 -0.367 0.000 0.975 622 Y HN 0.136 nan 8.280 nan 0.000 0.498 623 W N -0.708 120.426 121.300 -0.277 0.000 2.409 623 W HA -0.127 4.533 4.660 -0.000 0.000 0.299 623 W C 2.114 178.403 176.519 -0.384 0.000 1.203 623 W CA 0.185 57.278 57.345 -0.421 0.000 1.298 623 W CB -0.501 28.681 29.460 -0.463 0.000 1.127 623 W HN 0.082 nan 8.180 nan 0.000 0.528 624 L N 0.692 121.867 121.223 -0.080 0.000 2.013 624 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 624 L C 2.505 179.290 176.870 -0.142 0.000 1.073 624 L CA 1.859 56.654 54.840 -0.075 0.000 0.753 624 L CB -1.547 40.407 42.059 -0.175 0.000 0.890 624 L HN -0.027 nan 8.230 nan 0.000 0.432 625 R N -0.740 119.550 120.500 -0.350 0.000 2.092 625 R HA -0.121 4.219 4.340 -0.000 0.000 0.231 625 R C 2.164 178.192 176.300 -0.453 0.000 1.119 625 R CA 1.081 56.914 56.100 -0.446 0.000 0.970 625 R CB -0.326 29.549 30.300 -0.708 0.000 0.864 625 R HN 0.362 nan 8.270 nan 0.000 0.440 626 Q N 0.044 119.496 119.800 -0.580 0.000 2.029 626 Q HA -0.163 4.177 4.340 -0.000 0.000 0.209 626 Q C 2.148 178.066 176.000 -0.138 0.000 0.999 626 Q CA 2.123 57.682 55.803 -0.406 0.000 0.857 626 Q CB -0.698 27.816 28.738 -0.373 0.000 0.926 626 Q HN 0.299 nan 8.270 nan 0.000 0.415 627 V N 1.018 120.908 119.914 -0.040 0.000 2.295 627 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 627 V C 2.445 178.644 176.094 0.176 0.000 1.049 627 V CA 1.904 64.225 62.300 0.035 0.000 1.024 627 V CB -0.562 31.246 31.823 -0.025 0.000 0.648 627 V HN 0.353 nan 8.190 nan 0.000 0.447 628 M N -0.435 119.285 119.600 0.200 0.000 2.213 628 M HA -0.186 4.294 4.480 -0.000 0.000 0.263 628 M C 1.841 178.282 176.300 0.235 0.000 1.062 628 M CA 1.705 57.175 55.300 0.283 0.000 1.105 628 M CB -0.501 32.091 32.600 -0.012 0.000 1.385 628 M HN 0.335 nan 8.290 nan 0.000 0.417 629 D N -0.207 120.218 120.400 0.043 0.000 2.162 629 D HA -0.045 4.595 4.640 -0.000 0.000 0.203 629 D C 1.949 178.267 176.300 0.030 0.000 0.967 629 D CA 1.113 55.109 54.000 -0.006 0.000 0.840 629 D CB 0.045 40.774 40.800 -0.119 0.000 0.972 629 D HN 0.371 nan 8.370 nan 0.000 0.482 630 R N -0.780 119.741 120.500 0.035 0.000 2.250 630 R HA 0.261 4.601 4.340 -0.000 0.000 0.194 630 R C 1.574 177.886 176.300 0.019 0.000 0.927 630 R CA 0.085 56.196 56.100 0.017 0.000 1.052 630 R CB 0.340 30.639 30.300 -0.002 0.000 1.055 630 R HN 0.066 nan 8.270 nan 0.000 0.537 631 M N -0.075 119.545 119.600 0.033 0.000 2.495 631 M HA 0.192 4.672 4.480 -0.000 0.000 0.237 631 M C -0.590 175.533 176.300 -0.294 0.000 1.131 631 M CA 0.654 55.878 55.300 -0.127 0.000 1.032 631 M CB 0.168 32.623 32.600 -0.241 0.000 1.513 631 M HN -0.034 nan 8.290 nan 0.000 0.488 632 Y N 0.220 120.513 120.300 -0.011 0.000 2.354 632 Y HA 0.417 4.967 4.550 -0.000 0.000 0.330 632 Y C 0.328 176.140 175.900 -0.147 0.000 1.011 632 Y CA -1.077 56.949 58.100 -0.123 0.000 1.099 632 Y CB 1.639 39.993 38.460 -0.177 0.000 1.179 632 Y HN 0.027 nan 8.280 nan 0.000 0.442 633 T N -0.580 113.940 114.554 -0.057 0.000 2.901 633 T HA 0.450 4.800 4.350 -0.000 0.000 0.293 633 T C -2.717 171.916 174.700 -0.112 0.000 1.084 633 T CA -2.453 59.610 62.100 -0.062 0.000 1.008 633 T CB 2.637 71.476 68.868 -0.049 0.000 1.170 633 T HN 0.268 nan 8.240 nan 0.000 0.509 634 P HA 0.235 nan 4.420 nan 0.000 0.257 634 P C 0.825 178.088 177.300 -0.062 0.000 1.281 634 P CA 0.008 63.069 63.100 -0.065 0.000 0.826 634 P CB -0.199 31.500 31.700 -0.002 0.000 1.237 635 G N 1.554 110.305 108.800 -0.081 0.000 2.525 635 G HA2 0.260 4.220 3.960 -0.000 0.000 0.287 635 G HA3 0.260 4.220 3.960 -0.000 0.000 0.287 635 G C -1.731 173.087 174.900 -0.138 0.000 1.350 635 G CA -1.320 43.716 45.100 -0.107 0.000 1.039 635 G HN -0.140 nan 8.290 nan 0.000 0.513 636 P HA 0.012 nan 4.420 nan 0.000 0.222 636 P C 0.411 177.641 177.300 -0.116 0.000 1.147 636 P CA 1.095 64.029 63.100 -0.278 0.000 0.790 636 P CB 0.196 31.389 31.700 -0.845 0.000 0.780 637 D N -1.566 118.768 120.400 -0.110 0.000 2.894 637 D HA 0.133 4.773 4.640 -0.000 0.000 0.248 637 D C 1.490 177.777 176.300 -0.021 0.000 1.291 637 D CA -0.474 53.511 54.000 -0.024 0.000 0.840 637 D CB -0.900 39.884 40.800 -0.026 0.000 1.044 637 D HN 0.011 nan 8.370 nan 0.000 0.484 638 G N -0.276 108.497 108.800 -0.045 0.000 2.408 638 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.217 638 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.217 638 G C 0.275 175.041 174.900 -0.223 0.000 1.150 638 G CA 0.468 45.473 45.100 -0.158 0.000 0.776 638 G HN 0.268 nan 8.290 nan 0.000 0.542 639 Y N -1.043 119.247 120.300 -0.017 0.000 2.340 639 Y HA 0.345 4.895 4.550 -0.000 0.000 0.327 639 Y C 1.694 177.527 175.900 -0.112 0.000 1.321 639 Y CA -0.738 57.306 58.100 -0.093 0.000 1.433 639 Y CB 0.839 39.284 38.460 -0.025 0.000 1.373 639 Y HN 0.102 nan 8.280 nan 0.000 0.538 640 C N -1.921 117.382 119.300 0.005 0.000 3.104 640 C HA 0.836 5.296 4.460 -0.000 0.000 0.284 640 C C 0.601 175.602 174.990 0.017 0.000 1.326 640 C CA 0.097 59.102 59.018 -0.023 0.000 1.725 640 C CB -1.192 26.490 27.740 -0.095 0.000 2.156 640 C HN 0.941 nan 8.230 nan 0.000 0.638 641 G N -0.333 108.504 108.800 0.061 0.000 2.489 641 G HA2 0.437 4.397 3.960 -0.000 0.000 0.305 641 G HA3 0.437 4.397 3.960 -0.000 0.000 0.305 641 G C -2.195 172.758 174.900 0.089 0.000 1.311 641 G CA -0.499 44.651 45.100 0.084 0.000 0.813 641 G HN 0.041 nan 8.290 nan 0.000 0.480 642 D N 0.613 121.096 120.400 0.139 0.000 2.493 642 D HA 0.125 4.764 4.640 -0.000 0.000 0.240 642 D C 1.315 177.588 176.300 -0.046 0.000 1.142 642 D CA -0.104 53.955 54.000 0.099 0.000 0.872 642 D CB 1.693 42.631 40.800 0.231 0.000 1.173 642 D HN 0.441 nan 8.370 nan 0.000 0.467 643 E N 1.608 121.676 120.200 -0.220 0.000 2.106 643 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 643 E C -0.382 176.148 176.600 -0.116 0.000 0.984 643 E CA 0.704 56.869 56.400 -0.392 0.000 0.806 643 E CB 0.125 29.429 29.700 -0.660 0.000 0.750 643 E HN 0.417 nan 8.360 nan 0.000 0.458 644 D N 0.316 120.701 120.400 -0.025 0.000 2.718 644 D HA -0.218 4.422 4.640 -0.000 0.000 0.242 644 D C -0.678 175.640 176.300 0.030 0.000 1.123 644 D CA 1.047 55.089 54.000 0.068 0.000 0.690 644 D CB -2.012 38.875 40.800 0.145 0.000 1.059 644 D HN 0.451 nan 8.370 nan 0.000 0.429 645 N N -1.435 117.227 118.700 -0.064 0.000 2.747 645 N HA -0.207 4.533 4.740 -0.000 0.000 0.249 645 N C 1.075 176.654 175.510 0.115 0.000 1.107 645 N CA 1.505 54.499 53.050 -0.093 0.000 0.707 645 N CB -1.087 37.253 38.487 -0.244 0.000 1.054 645 N HN 0.737 nan 8.380 nan 0.000 0.555 646 G N -1.276 107.586 108.800 0.104 0.000 2.259 646 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.217 646 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.217 646 G C 0.680 175.678 174.900 0.163 0.000 1.001 646 G CA 0.776 45.956 45.100 0.133 0.000 0.627 646 G HN 0.454 nan 8.290 nan 0.000 0.501 647 Q N 1.302 121.190 119.800 0.146 0.000 1.967 647 Q HA -0.013 4.327 4.340 -0.000 0.000 0.202 647 Q C 2.492 178.656 176.000 0.273 0.000 0.985 647 Q CA 3.270 59.181 55.803 0.180 0.000 0.839 647 Q CB -1.078 27.726 28.738 0.109 0.000 0.906 647 Q HN 0.499 nan 8.270 nan 0.000 0.423 648 T N 0.119 114.800 114.554 0.213 0.000 2.881 648 T HA -0.083 4.267 4.350 -0.000 0.000 0.270 648 T C 1.922 176.962 174.700 0.566 0.000 1.068 648 T CA 1.259 63.552 62.100 0.321 0.000 1.131 648 T CB -0.272 68.684 68.868 0.148 0.000 0.871 648 T HN 0.255 nan 8.240 nan 0.000 0.479 649 S N 1.499 117.452 115.700 0.422 0.000 2.362 649 S HA 0.104 4.574 4.470 -0.000 0.000 0.221 649 S C 2.616 177.447 174.600 0.385 0.000 1.032 649 S CA 0.748 59.222 58.200 0.458 0.000 0.973 649 S CB -0.505 62.877 63.200 0.303 0.000 0.849 649 S HN 0.585 nan 8.310 nan 0.000 0.465 650 A N 0.238 123.256 122.820 0.330 0.000 2.070 650 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 650 A C 1.735 179.608 177.584 0.482 0.000 1.159 650 A CA 1.041 53.259 52.037 0.301 0.000 0.656 650 A CB -0.936 18.230 19.000 0.276 0.000 0.800 650 A HN 0.723 nan 8.150 nan 0.000 0.453 651 W N -0.849 120.710 121.300 0.432 0.000 2.355 651 W HA -0.254 4.406 4.660 0.000 0.000 0.309 651 W C 1.995 178.768 176.519 0.423 0.000 1.206 651 W CA 2.034 59.711 57.345 0.553 0.000 1.284 651 W CB -0.369 29.412 29.460 0.535 0.000 1.145 651 W HN 0.461 nan 8.180 nan 0.000 0.502 652 Y N 0.317 120.943 120.300 0.543 0.000 2.200 652 Y HA -0.251 4.299 4.550 0.000 0.000 0.290 652 Y C 2.290 178.195 175.900 0.008 0.000 1.137 652 Y CA 2.606 60.781 58.100 0.124 0.000 1.163 652 Y CB -0.803 37.441 38.460 -0.360 0.000 0.988 652 Y HN -0.173 nan 8.280 nan 0.000 0.518 653 V N -0.233 119.753 119.914 0.120 0.000 2.255 653 V HA -0.341 3.779 4.120 -0.000 0.000 0.247 653 V C 2.132 178.178 176.094 -0.080 0.000 1.051 653 V CA 2.198 64.430 62.300 -0.114 0.000 1.018 653 V CB -1.049 30.611 31.823 -0.272 0.000 0.641 653 V HN 0.325 nan 8.190 nan 0.000 0.445 654 F N 1.069 120.961 119.950 -0.097 0.000 2.075 654 F HA -0.178 4.349 4.527 -0.000 0.000 0.297 654 F C 2.775 178.365 175.800 -0.351 0.000 1.113 654 F CA 2.050 59.914 58.000 -0.226 0.000 1.218 654 F CB -0.835 38.104 39.000 -0.101 0.000 0.984 654 F HN 0.031 nan 8.300 nan 0.000 0.472 655 S N -0.188 115.401 115.700 -0.185 0.000 2.383 655 S HA -0.201 4.269 4.470 -0.000 0.000 0.229 655 S C 2.259 176.676 174.600 -0.305 0.000 1.030 655 S CA 1.009 59.002 58.200 -0.345 0.000 1.002 655 S CB -0.754 61.912 63.200 -0.890 0.000 0.829 655 S HN 0.388 nan 8.310 nan 0.000 0.467 656 A N 1.121 123.741 122.820 -0.334 0.000 2.015 656 A HA 0.091 4.411 4.320 -0.000 0.000 0.219 656 A C 2.027 179.537 177.584 -0.125 0.000 1.163 656 A CA 0.867 52.743 52.037 -0.268 0.000 0.646 656 A CB -0.529 18.393 19.000 -0.130 0.000 0.806 656 A HN 0.464 nan 8.150 nan 0.000 0.448 657 L N -1.965 119.156 121.223 -0.171 0.000 2.156 657 L HA 0.095 4.435 4.340 -0.000 0.000 0.208 657 L C 1.868 178.572 176.870 -0.276 0.000 1.095 657 L CA 0.998 55.679 54.840 -0.265 0.000 0.770 657 L CB -0.185 41.566 42.059 -0.512 0.000 0.914 657 L HN 0.596 nan 8.230 nan 0.000 0.439 658 G N -0.617 108.008 108.800 -0.291 0.000 2.227 658 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.168 658 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.168 658 G C -0.045 174.981 174.900 0.210 0.000 1.006 658 G CA -0.138 44.962 45.100 -0.001 0.000 0.684 658 G HN 0.260 nan 8.290 nan 0.000 0.489 659 F N -1.792 118.276 119.950 0.196 0.000 2.686 659 F HA 0.854 5.381 4.527 -0.000 0.000 0.311 659 F C -1.039 174.823 175.800 0.103 0.000 1.128 659 F CA -2.470 55.643 58.000 0.188 0.000 0.946 659 F CB 1.224 40.330 39.000 0.177 0.000 1.336 659 F HN 0.169 nan 8.300 nan 0.000 0.457 660 Y N 1.455 121.671 120.300 -0.141 0.000 2.479 660 Y HA 0.539 5.089 4.550 -0.000 0.000 0.338 660 Y C -2.857 172.778 175.900 -0.441 0.000 1.055 660 Y CA -2.402 55.328 58.100 -0.617 0.000 1.023 660 Y CB 3.220 40.948 38.460 -1.219 0.000 1.287 660 Y HN 0.445 nan 8.280 nan 0.000 0.447 661 P HA 0.063 nan 4.420 nan 0.000 0.244 661 P C 0.534 177.567 177.300 -0.445 0.000 1.769 661 P CA 0.314 63.025 63.100 -0.648 0.000 1.102 661 P CB 0.646 31.926 31.700 -0.700 0.000 1.937 662 V N 1.385 121.269 119.914 -0.051 0.000 2.282 662 V HA -0.215 3.905 4.120 -0.000 0.000 0.249 662 V C 1.507 177.636 176.094 0.059 0.000 1.057 662 V CA 1.849 64.278 62.300 0.214 0.000 1.032 662 V CB -0.406 31.628 31.823 0.352 0.000 0.645 662 V HN 0.532 nan 8.190 nan 0.000 0.447 663 C N 2.272 121.561 119.300 -0.018 0.000 2.621 663 C HA 0.507 4.967 4.460 -0.000 0.000 0.272 663 C C -2.522 172.437 174.990 -0.051 0.000 1.119 663 C CA -2.334 56.644 59.018 -0.066 0.000 1.593 663 C CB -0.549 27.163 27.740 -0.047 0.000 1.749 663 C HN 0.308 nan 8.230 nan 0.000 0.420 664 P HA 0.312 nan 4.420 nan 0.000 0.266 664 P C 0.889 178.288 177.300 0.165 0.000 1.195 664 P CA 1.801 64.912 63.100 0.019 0.000 0.768 664 P CB 0.534 32.276 31.700 0.069 0.000 0.838 665 G N 0.864 109.709 108.800 0.075 0.000 2.259 665 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.217 665 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.217 665 G C 0.400 175.374 174.900 0.124 0.000 1.001 665 G CA 0.272 45.454 45.100 0.138 0.000 0.627 665 G HN 0.851 nan 8.290 nan 0.000 0.501 666 T N -0.912 113.691 114.554 0.082 0.000 2.884 666 T HA 0.536 4.886 4.350 -0.000 0.000 0.277 666 T C 0.626 175.238 174.700 -0.147 0.000 0.976 666 T CA 0.618 62.686 62.100 -0.053 0.000 0.956 666 T CB 1.754 70.544 68.868 -0.130 0.000 1.113 666 T HN 0.368 nan 8.240 nan 0.000 0.554 667 D N -0.887 119.432 120.400 -0.135 0.000 2.491 667 D HA 0.151 4.791 4.640 -0.000 0.000 0.228 667 D C -0.158 176.048 176.300 -0.156 0.000 1.183 667 D CA -0.375 53.543 54.000 -0.137 0.000 0.827 667 D CB -0.162 40.617 40.800 -0.035 0.000 0.989 667 D HN 0.699 nan 8.370 nan 0.000 0.494 668 E N 0.153 120.191 120.200 -0.271 0.000 2.183 668 E HA 0.321 4.671 4.350 -0.000 0.000 0.271 668 E C -1.085 175.258 176.600 -0.429 0.000 0.919 668 E CA -0.863 55.424 56.400 -0.189 0.000 0.781 668 E CB 1.522 31.150 29.700 -0.120 0.000 1.140 668 E HN 0.144 nan 8.360 nan 0.000 0.402 669 Y N 0.809 121.153 120.300 0.072 0.000 2.334 669 Y HA 0.239 4.789 4.550 -0.000 0.000 0.336 669 Y C 0.115 176.101 175.900 0.142 0.000 0.960 669 Y CA -0.952 57.178 58.100 0.051 0.000 1.164 669 Y CB 1.057 39.541 38.460 0.041 0.000 1.155 669 Y HN 0.218 nan 8.280 nan 0.000 0.478 670 V N 4.688 124.735 119.914 0.223 0.000 2.715 670 V HA 0.042 4.162 4.120 -0.000 0.000 0.299 670 V C 0.351 176.655 176.094 0.350 0.000 1.054 670 V CA -0.541 61.926 62.300 0.277 0.000 1.077 670 V CB 0.903 32.900 31.823 0.291 0.000 0.972 670 V HN 0.728 nan 8.190 nan 0.000 0.484 671 M N 4.195 124.031 119.600 0.394 0.000 2.185 671 M HA 0.524 5.004 4.480 -0.000 0.000 0.357 671 M C 0.532 177.135 176.300 0.505 0.000 1.260 671 M CA 0.631 56.181 55.300 0.415 0.000 1.124 671 M CB 0.753 33.536 32.600 0.304 0.000 1.600 671 M HN 0.788 nan 8.290 nan 0.000 0.467 672 G N 1.503 110.608 108.800 0.509 0.000 3.414 672 G HA2 0.500 4.460 3.960 -0.000 0.000 0.196 672 G HA3 0.500 4.460 3.960 -0.000 0.000 0.196 672 G C -0.973 174.041 174.900 0.189 0.000 1.486 672 G CA -0.149 45.160 45.100 0.348 0.000 0.811 672 G HN 0.622 nan 8.290 nan 0.000 0.704 673 T N 1.775 116.386 114.554 0.096 0.000 2.971 673 T HA 0.601 4.951 4.350 -0.000 0.000 0.304 673 T C -3.034 171.662 174.700 -0.007 0.000 1.038 673 T CA -1.161 60.974 62.100 0.058 0.000 1.007 673 T CB 2.124 71.015 68.868 0.038 0.000 1.055 673 T HN 0.224 nan 8.240 nan 0.000 0.451 674 P HA 0.243 nan 4.420 nan 0.000 0.280 674 P C 0.458 177.691 177.300 -0.112 0.000 1.244 674 P CA -0.533 62.541 63.100 -0.042 0.000 0.784 674 P CB 1.189 32.894 31.700 0.009 0.000 0.913 675 L N 2.659 123.750 121.223 -0.219 0.000 2.375 675 L HA 0.278 4.618 4.340 -0.000 0.000 0.215 675 L C 0.274 176.826 176.870 -0.529 0.000 1.108 675 L CA 1.112 55.691 54.840 -0.435 0.000 0.830 675 L CB -0.319 41.336 42.059 -0.673 0.000 0.959 675 L HN 0.149 nan 8.230 nan 0.000 0.457 676 F N -0.968 118.902 119.950 -0.133 0.000 2.509 676 F HA 0.360 4.887 4.527 -0.000 0.000 0.334 676 F C 1.499 177.258 175.800 -0.068 0.000 1.060 676 F CA -0.661 57.274 58.000 -0.109 0.000 0.997 676 F CB 0.931 39.844 39.000 -0.145 0.000 1.271 676 F HN -0.393 nan 8.300 nan 0.000 0.488 677 K N 0.016 120.522 120.400 0.176 0.000 2.296 677 K HA 0.016 4.336 4.320 -0.000 0.000 0.200 677 K C 0.006 176.649 176.600 0.071 0.000 1.048 677 K CA 0.916 57.257 56.287 0.090 0.000 0.966 677 K CB 0.282 32.829 32.500 0.078 0.000 0.754 677 K HN 0.356 nan 8.250 nan 0.000 0.466 678 K N -0.095 120.352 120.400 0.079 0.000 2.561 678 K HA 0.445 4.765 4.320 -0.000 0.000 0.254 678 K C -2.118 174.455 176.600 -0.046 0.000 0.942 678 K CA -0.518 55.778 56.287 0.016 0.000 0.818 678 K CB 1.957 34.463 32.500 0.009 0.000 1.306 678 K HN -0.028 nan 8.250 nan 0.000 0.435 679 A N 2.211 124.987 122.820 -0.073 0.000 2.414 679 A HA 0.736 5.056 4.320 -0.000 0.000 0.306 679 A C -1.154 176.341 177.584 -0.148 0.000 1.054 679 A CA -0.594 51.350 52.037 -0.154 0.000 0.724 679 A CB 1.955 20.860 19.000 -0.158 0.000 1.267 679 A HN 0.542 nan 8.150 nan 0.000 0.418 680 T N 2.723 117.153 114.554 -0.206 0.000 2.848 680 T HA 0.573 4.923 4.350 -0.000 0.000 0.285 680 T C -0.610 173.811 174.700 -0.464 0.000 0.995 680 T CA -0.270 61.651 62.100 -0.297 0.000 0.970 680 T CB 0.750 69.450 68.868 -0.280 0.000 0.976 680 T HN 0.479 nan 8.240 nan 0.000 0.441 681 L N 3.754 124.638 121.223 -0.566 0.000 2.317 681 L HA 0.524 4.864 4.340 -0.000 0.000 0.281 681 L C -0.164 176.070 176.870 -1.060 0.000 1.024 681 L CA -1.032 53.359 54.840 -0.747 0.000 0.810 681 L CB 1.063 42.681 42.059 -0.735 0.000 1.240 681 L HN 0.586 nan 8.230 nan 0.000 0.427 682 H N 3.679 122.390 119.070 -0.597 0.000 2.638 682 H HA 0.360 4.916 4.556 -0.000 0.000 0.303 682 H C -0.630 174.392 175.328 -0.510 0.000 1.034 682 H CA -0.471 55.290 56.048 -0.478 0.000 1.225 682 H CB 0.902 30.516 29.762 -0.247 0.000 1.394 682 H HN 0.292 nan 8.280 nan 0.000 0.477 683 F N 0.643 120.545 119.950 -0.080 0.000 2.380 683 F HA 0.122 4.649 4.527 -0.000 0.000 0.325 683 F C 1.970 177.647 175.800 -0.205 0.000 1.136 683 F CA -0.627 57.241 58.000 -0.220 0.000 1.171 683 F CB 0.881 39.607 39.000 -0.455 0.000 1.230 683 F HN 0.449 nan 8.300 nan 0.000 0.554 684 E N 0.401 120.579 120.200 -0.037 0.000 2.265 684 E HA -0.223 4.127 4.350 -0.000 0.000 0.196 684 E C 1.368 177.926 176.600 -0.070 0.000 0.996 684 E CA 1.277 57.649 56.400 -0.046 0.000 0.832 684 E CB -0.386 29.298 29.700 -0.027 0.000 0.756 684 E HN 0.698 nan 8.360 nan 0.000 0.491 685 N N -0.566 118.044 118.700 -0.151 0.000 2.521 685 N HA -0.045 4.695 4.740 -0.000 0.000 0.188 685 N C 1.283 176.763 175.510 -0.050 0.000 1.146 685 N CA 0.522 53.493 53.050 -0.132 0.000 0.893 685 N CB 0.471 38.809 38.487 -0.249 0.000 0.975 685 N HN 0.145 nan 8.380 nan 0.000 0.451 686 G N 0.118 108.912 108.800 -0.009 0.000 2.232 686 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.226 686 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.226 686 G C -0.251 174.683 174.900 0.056 0.000 0.996 686 G CA -0.240 44.871 45.100 0.019 0.000 0.626 686 G HN 0.406 nan 8.290 nan 0.000 0.509 687 N N 0.771 119.525 118.700 0.090 0.000 2.463 687 N HA 0.668 5.408 4.740 -0.000 0.000 0.270 687 N C -0.169 175.444 175.510 0.171 0.000 1.205 687 N CA 0.363 53.500 53.050 0.146 0.000 0.974 687 N CB 1.339 39.929 38.487 0.172 0.000 1.197 687 N HN 0.275 nan 8.380 nan 0.000 0.504 688 S N 0.265 116.036 115.700 0.119 0.000 2.542 688 S HA 0.513 4.983 4.470 -0.000 0.000 0.293 688 S C -0.949 173.663 174.600 0.021 0.000 1.089 688 S CA -0.792 57.381 58.200 -0.045 0.000 0.961 688 S CB 1.726 64.899 63.200 -0.044 0.000 1.062 688 S HN 0.355 nan 8.310 nan 0.000 0.483 689 L N 3.085 124.249 121.223 -0.100 0.000 2.381 689 L HA 0.660 5.000 4.340 -0.000 0.000 0.274 689 L C -1.519 175.297 176.870 -0.090 0.000 0.988 689 L CA -0.604 54.252 54.840 0.026 0.000 0.824 689 L CB 1.541 43.725 42.059 0.208 0.000 1.263 689 L HN 0.487 nan 8.230 nan 0.000 0.410 690 V N 6.317 126.201 119.914 -0.050 0.000 2.435 690 V HA 0.432 4.552 4.120 -0.000 0.000 0.290 690 V C 0.243 176.304 176.094 -0.055 0.000 1.030 690 V CA -0.414 61.846 62.300 -0.067 0.000 0.881 690 V CB 2.009 33.809 31.823 -0.039 0.000 0.983 690 V HN 0.553 nan 8.190 nan 0.000 0.445 691 I N 4.273 124.811 120.570 -0.054 0.000 2.337 691 I HA 0.319 4.489 4.170 -0.000 0.000 0.285 691 I C -0.263 175.841 176.117 -0.021 0.000 1.041 691 I CA -0.255 61.021 61.300 -0.040 0.000 1.199 691 I CB 0.890 38.886 38.000 -0.006 0.000 1.370 691 I HN 0.485 nan 8.210 nan 0.000 0.470 692 D N 6.434 126.823 120.400 -0.018 0.000 2.313 692 D HA 0.395 5.035 4.640 -0.000 0.000 0.239 692 D C -0.044 176.260 176.300 0.007 0.000 1.142 692 D CA 0.080 54.080 54.000 -0.001 0.000 0.847 692 D CB 2.010 42.812 40.800 0.003 0.000 1.082 692 D HN 0.594 nan 8.370 nan 0.000 0.480 693 A N 5.068 127.898 122.820 0.017 0.000 3.297 693 A HA 0.310 4.630 4.320 -0.000 0.000 0.304 693 A C -1.580 176.016 177.584 0.020 0.000 0.963 693 A CA -0.873 51.175 52.037 0.018 0.000 0.935 693 A CB 0.731 19.744 19.000 0.020 0.000 1.093 693 A HN 0.277 nan 8.150 nan 0.000 0.480 694 P HA -0.210 nan 4.420 nan 0.000 0.218 694 P C 0.722 178.030 177.300 0.014 0.000 1.146 694 P CA 1.174 64.285 63.100 0.019 0.000 0.813 694 P CB 0.093 31.802 31.700 0.016 0.000 0.778 695 N N -0.861 117.844 118.700 0.008 0.000 2.314 695 N HA -0.008 4.732 4.740 -0.000 0.000 0.200 695 N C 0.354 175.861 175.510 -0.006 0.000 1.135 695 N CA -0.324 52.726 53.050 0.001 0.000 0.835 695 N CB -0.155 38.331 38.487 -0.003 0.000 0.989 695 N HN -0.034 nan 8.380 nan 0.000 0.478 696 N N 0.962 119.661 118.700 -0.002 0.000 2.441 696 N HA -0.007 4.733 4.740 -0.000 0.000 0.251 696 N C -0.544 174.954 175.510 -0.020 0.000 1.242 696 N CA 0.543 53.585 53.050 -0.013 0.000 0.898 696 N CB 1.018 39.497 38.487 -0.013 0.000 1.100 696 N HN 0.289 nan 8.380 nan 0.000 0.443 697 S N -0.256 115.427 115.700 -0.028 0.000 2.661 697 S HA 0.272 4.742 4.470 -0.000 0.000 0.268 697 S C 0.713 175.300 174.600 -0.021 0.000 1.162 697 S CA -0.502 57.681 58.200 -0.027 0.000 0.817 697 S CB 0.424 63.611 63.200 -0.021 0.000 1.141 697 S HN 0.367 nan 8.310 nan 0.000 0.477 698 T N 1.218 115.759 114.554 -0.020 0.000 2.881 698 T HA 0.003 4.353 4.350 -0.000 0.000 0.270 698 T C 1.183 175.928 174.700 0.075 0.000 1.068 698 T CA 2.090 64.186 62.100 -0.006 0.000 1.131 698 T CB -0.418 68.437 68.868 -0.021 0.000 0.871 698 T HN 0.631 nan 8.240 nan 0.000 0.479 699 E N 1.298 121.525 120.200 0.045 0.000 2.140 699 E HA 0.121 4.471 4.350 -0.000 0.000 0.191 699 E C 0.670 177.206 176.600 -0.106 0.000 0.973 699 E CA 0.440 56.859 56.400 0.032 0.000 0.829 699 E CB -0.058 29.632 29.700 -0.016 0.000 0.781 699 E HN 0.504 nan 8.360 nan 0.000 0.466 700 N N 1.007 119.652 118.700 -0.091 0.000 3.034 700 N HA 0.094 4.834 4.740 -0.000 0.000 0.265 700 N C -0.548 174.874 175.510 -0.147 0.000 1.166 700 N CA -0.218 52.733 53.050 -0.166 0.000 1.081 700 N CB 0.101 38.542 38.487 -0.077 0.000 1.378 700 N HN 0.143 nan 8.380 nan 0.000 0.520 701 F N -1.716 118.123 119.950 -0.186 0.000 2.661 701 F HA 0.413 4.940 4.527 0.000 0.000 0.306 701 F C -0.430 175.206 175.800 -0.274 0.000 1.094 701 F CA -0.942 56.900 58.000 -0.262 0.000 1.254 701 F CB -0.330 38.447 39.000 -0.373 0.000 1.040 701 F HN 0.005 nan 8.300 nan 0.000 0.562 702 Y N 1.964 122.124 120.300 -0.235 0.000 2.320 702 Y HA 0.510 5.060 4.550 -0.000 0.000 0.324 702 Y C 0.437 176.327 175.900 -0.017 0.000 1.190 702 Y CA -1.735 56.322 58.100 -0.071 0.000 1.215 702 Y CB 0.973 39.335 38.460 -0.164 0.000 1.221 702 Y HN -0.102 nan 8.280 nan 0.000 0.486 703 I N 3.120 123.831 120.570 0.234 0.000 2.312 703 I HA 0.041 4.211 4.170 -0.000 0.000 0.291 703 I C 0.883 177.073 176.117 0.121 0.000 1.031 703 I CA 0.051 61.440 61.300 0.148 0.000 1.293 703 I CB 1.010 39.102 38.000 0.155 0.000 1.403 703 I HN 0.791 nan 8.210 nan 0.000 0.484 704 D N 4.009 124.450 120.400 0.068 0.000 2.201 704 D HA -0.026 4.614 4.640 -0.000 0.000 0.209 704 D C 0.366 176.689 176.300 0.037 0.000 0.961 704 D CA 0.856 54.874 54.000 0.030 0.000 0.861 704 D CB 0.728 41.527 40.800 -0.001 0.000 0.997 704 D HN 0.603 nan 8.370 nan 0.000 0.486 705 S N -0.897 114.832 115.700 0.047 0.000 2.596 705 S HA 0.631 5.101 4.470 -0.000 0.000 0.270 705 S C -0.822 173.819 174.600 0.068 0.000 1.155 705 S CA -0.954 57.279 58.200 0.055 0.000 0.827 705 S CB 2.677 65.900 63.200 0.039 0.000 1.130 705 S HN 0.111 nan 8.310 nan 0.000 0.467 706 M N 2.291 121.943 119.600 0.087 0.000 2.371 706 M HA 0.539 5.019 4.480 -0.000 0.000 0.287 706 M C -1.494 174.879 176.300 0.122 0.000 1.149 706 M CA -0.196 55.160 55.300 0.093 0.000 0.929 706 M CB 2.298 34.973 32.600 0.125 0.000 1.683 706 M HN 1.114 nan 8.290 nan 0.000 0.470 707 S N 2.948 118.702 115.700 0.090 0.000 2.548 707 S HA 0.747 5.217 4.470 -0.000 0.000 0.286 707 S C -1.495 173.190 174.600 0.142 0.000 1.098 707 S CA -0.651 57.630 58.200 0.135 0.000 0.930 707 S CB 2.090 65.352 63.200 0.102 0.000 1.070 707 S HN 0.561 nan 8.310 nan 0.000 0.480 708 F N 2.626 122.582 119.950 0.009 0.000 2.434 708 F HA 0.473 5.000 4.527 -0.000 0.000 0.355 708 F C 0.236 176.034 175.800 -0.004 0.000 1.115 708 F CA -1.403 56.571 58.000 -0.043 0.000 1.010 708 F CB -0.330 38.609 39.000 -0.101 0.000 1.234 708 F HN 0.974 nan 8.300 nan 0.000 0.439 709 N N 3.723 122.660 118.700 0.395 0.000 2.727 709 N HA -0.204 4.536 4.740 -0.000 0.000 0.249 709 N C 1.042 176.613 175.510 0.102 0.000 1.048 709 N CA 0.933 54.091 53.050 0.180 0.000 0.714 709 N CB -0.992 37.545 38.487 0.083 0.000 0.959 709 N HN 1.145 nan 8.380 nan 0.000 0.544 710 G N -1.846 107.019 108.800 0.108 0.000 2.299 710 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.237 710 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.237 710 G C 0.351 175.294 174.900 0.073 0.000 1.027 710 G CA 0.346 45.491 45.100 0.074 0.000 0.619 710 G HN 1.057 nan 8.290 nan 0.000 0.513 711 A N 0.437 123.307 122.820 0.083 0.000 2.407 711 A HA 0.530 4.850 4.320 -0.000 0.000 0.248 711 A C 0.256 177.913 177.584 0.122 0.000 1.082 711 A CA 0.803 52.888 52.037 0.080 0.000 0.785 711 A CB 0.345 19.381 19.000 0.061 0.000 1.020 711 A HN 0.613 nan 8.150 nan 0.000 0.489 712 D N 0.175 120.632 120.400 0.094 0.000 2.345 712 D HA 0.157 4.797 4.640 -0.000 0.000 0.247 712 D C -0.316 176.071 176.300 0.144 0.000 1.108 712 D CA 0.612 54.675 54.000 0.105 0.000 0.894 712 D CB 0.273 41.109 40.800 0.059 0.000 1.203 712 D HN 0.494 nan 8.370 nan 0.000 0.430 713 H N 2.679 121.781 119.070 0.053 0.000 2.866 713 H HA 0.180 4.736 4.556 -0.000 0.000 0.287 713 H C 0.243 175.584 175.328 0.023 0.000 1.106 713 H CA -0.106 55.970 56.048 0.047 0.000 1.396 713 H CB 0.847 30.661 29.762 0.087 0.000 1.469 713 H HN 0.501 nan 8.280 nan 0.000 0.500 714 T N 1.332 115.771 114.554 -0.190 0.000 3.060 714 T HA 0.153 4.503 4.350 -0.000 0.000 0.249 714 T C 0.668 175.277 174.700 -0.152 0.000 1.079 714 T CA -0.228 61.818 62.100 -0.089 0.000 1.013 714 T CB 0.261 69.102 68.868 -0.044 0.000 0.975 714 T HN 0.293 nan 8.240 nan 0.000 0.518 715 K N 1.706 121.840 120.400 -0.445 0.000 2.380 715 K HA 0.198 4.518 4.320 -0.000 0.000 0.267 715 K C 0.419 176.949 176.600 -0.116 0.000 0.990 715 K CA 0.175 56.229 56.287 -0.388 0.000 0.946 715 K CB 0.238 32.247 32.500 -0.818 0.000 0.937 715 K HN 0.260 nan 8.250 nan 0.000 0.491 716 N N 1.021 119.733 118.700 0.020 0.000 2.322 716 N HA 0.076 4.816 4.740 -0.000 0.000 0.216 716 N C -1.400 174.275 175.510 0.275 0.000 1.144 716 N CA -0.227 52.921 53.050 0.163 0.000 0.830 716 N CB 0.104 38.685 38.487 0.157 0.000 1.034 716 N HN 0.408 nan 8.380 nan 0.000 0.484 717 Y N -2.250 118.151 120.300 0.169 0.000 2.656 717 Y HA 0.566 5.116 4.550 -0.000 0.000 0.334 717 Y C -1.758 174.277 175.900 0.225 0.000 1.179 717 Y CA -1.499 56.701 58.100 0.166 0.000 1.050 717 Y CB 0.908 39.423 38.460 0.093 0.000 1.308 717 Y HN -0.320 nan 8.280 nan 0.000 0.456 718 L N 2.350 123.730 121.223 0.261 0.000 2.333 718 L HA 0.722 5.062 4.340 -0.000 0.000 0.269 718 L C -0.473 176.607 176.870 0.350 0.000 1.010 718 L CA -1.181 53.758 54.840 0.166 0.000 0.818 718 L CB 2.271 44.235 42.059 -0.158 0.000 1.306 718 L HN 0.677 nan 8.230 nan 0.000 0.430 719 R N -0.604 120.074 120.500 0.297 0.000 2.393 719 R HA 0.227 4.567 4.340 -0.000 0.000 0.310 719 R C 0.554 176.966 176.300 0.187 0.000 0.968 719 R CA -0.628 55.631 56.100 0.265 0.000 0.867 719 R CB 1.591 32.030 30.300 0.231 0.000 1.124 719 R HN 0.518 nan 8.270 nan 0.000 0.450 720 H N 2.576 121.709 119.070 0.104 0.000 2.292 720 H HA -0.309 4.247 4.556 -0.000 0.000 0.292 720 H C 2.085 177.231 175.328 -0.303 0.000 1.100 720 H CA 3.148 59.148 56.048 -0.080 0.000 1.238 720 H CB 0.428 30.092 29.762 -0.163 0.000 1.355 720 H HN 0.836 nan 8.280 nan 0.000 0.484 721 E N 0.559 120.726 120.200 -0.055 0.000 2.153 721 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 721 E C 1.976 178.550 176.600 -0.043 0.000 0.988 721 E CA 1.386 57.754 56.400 -0.053 0.000 0.811 721 E CB -0.437 29.279 29.700 0.027 0.000 0.746 721 E HN 0.673 nan 8.360 nan 0.000 0.466 722 D N 0.174 120.566 120.400 -0.013 0.000 2.097 722 D HA -0.040 4.600 4.640 -0.000 0.000 0.197 722 D C 2.178 178.537 176.300 0.098 0.000 0.984 722 D CA 0.862 54.867 54.000 0.009 0.000 0.826 722 D CB -0.154 40.682 40.800 0.061 0.000 0.973 722 D HN 0.413 nan 8.370 nan 0.000 0.460 723 L N 0.052 121.297 121.223 0.036 0.000 2.017 723 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 723 L C 2.464 179.270 176.870 -0.108 0.000 1.073 723 L CA 0.817 55.656 54.840 -0.002 0.000 0.745 723 L CB -0.439 41.481 42.059 -0.231 0.000 0.894 723 L HN -0.018 nan 8.230 nan 0.000 0.432 724 F N 0.854 120.444 119.950 -0.599 0.000 2.250 724 F HA -0.202 4.325 4.527 -0.000 0.000 0.301 724 F C 2.397 178.050 175.800 -0.246 0.000 1.077 724 F CA 1.090 58.671 58.000 -0.698 0.000 1.348 724 F CB -0.728 37.954 39.000 -0.530 0.000 1.040 724 F HN 0.067 nan 8.300 nan 0.000 0.509 725 K N -0.252 120.189 120.400 0.068 0.000 2.365 725 K HA 0.155 4.475 4.320 -0.000 0.000 0.199 725 K C 1.319 177.989 176.600 0.116 0.000 1.045 725 K CA 0.563 56.890 56.287 0.067 0.000 0.962 725 K CB -0.410 32.102 32.500 0.020 0.000 0.759 725 K HN 0.356 nan 8.250 nan 0.000 0.469 726 G N 0.062 108.982 108.800 0.200 0.000 2.693 726 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.226 726 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.226 726 G C 0.263 175.295 174.900 0.220 0.000 1.354 726 G CA -0.376 44.879 45.100 0.259 0.000 0.873 726 G HN 0.665 nan 8.290 nan 0.000 0.562 727 G N -3.063 105.839 108.800 0.170 0.000 2.418 727 G HA2 0.467 4.427 3.960 -0.000 0.000 0.206 727 G HA3 0.467 4.427 3.960 -0.000 0.000 0.206 727 G C -0.157 174.823 174.900 0.134 0.000 1.202 727 G CA 0.577 45.766 45.100 0.149 0.000 1.061 727 G HN 2.223 nan 8.290 nan 0.000 0.563 728 T N 0.557 115.199 114.554 0.146 0.000 2.861 728 T HA 0.664 5.014 4.350 -0.000 0.000 0.287 728 T C -0.127 174.605 174.700 0.054 0.000 1.003 728 T CA -0.249 61.896 62.100 0.076 0.000 0.977 728 T CB 1.432 70.335 68.868 0.057 0.000 0.996 728 T HN 0.603 nan 8.240 nan 0.000 0.448 729 I N 2.795 123.311 120.570 -0.091 0.000 2.378 729 I HA 0.420 4.590 4.170 -0.000 0.000 0.291 729 I C 0.117 176.182 176.117 -0.088 0.000 0.992 729 I CA -0.750 60.430 61.300 -0.200 0.000 1.154 729 I CB 1.614 39.351 38.000 -0.438 0.000 1.315 729 I HN 0.271 nan 8.210 nan 0.000 0.448 730 K N 5.221 125.595 120.400 -0.043 0.000 2.206 730 K HA 0.636 4.956 4.320 -0.000 0.000 0.264 730 K C -1.279 175.317 176.600 -0.006 0.000 0.967 730 K CA -0.560 55.721 56.287 -0.010 0.000 0.844 730 K CB 1.970 34.480 32.500 0.016 0.000 1.099 730 K HN 0.306 nan 8.250 nan 0.000 0.441 731 V N 2.930 122.846 119.914 0.003 0.000 2.376 731 V HA 0.102 4.222 4.120 -0.000 0.000 0.287 731 V C -0.733 175.376 176.094 0.024 0.000 1.015 731 V CA -0.986 61.326 62.300 0.020 0.000 0.834 731 V CB 1.389 33.227 31.823 0.024 0.000 1.001 731 V HN 0.699 nan 8.190 nan 0.000 0.428 732 D N 5.785 126.202 120.400 0.028 0.000 2.365 732 D HA 0.322 4.962 4.640 -0.000 0.000 0.237 732 D C 0.076 176.390 176.300 0.023 0.000 1.190 732 D CA -0.255 53.757 54.000 0.021 0.000 0.867 732 D CB 0.656 41.466 40.800 0.017 0.000 1.050 732 D HN 0.227 nan 8.370 nan 0.000 0.491 733 M N 1.884 121.492 119.600 0.014 0.000 2.255 733 M HA 0.293 4.773 4.480 -0.000 0.000 0.336 733 M C 0.404 176.698 176.300 -0.009 0.000 1.135 733 M CA -0.380 54.925 55.300 0.009 0.000 1.145 733 M CB 0.893 33.491 32.600 -0.004 0.000 1.473 733 M HN 0.346 nan 8.290 nan 0.000 0.462 734 S N 0.830 116.521 115.700 -0.015 0.000 2.651 734 S HA 0.511 4.981 4.470 -0.000 0.000 0.279 734 S C 0.185 174.739 174.600 -0.075 0.000 1.148 734 S CA -0.672 57.507 58.200 -0.036 0.000 0.837 734 S CB 1.175 64.358 63.200 -0.029 0.000 1.138 734 S HN 0.753 nan 8.310 nan 0.000 0.478 735 N N 1.399 120.045 118.700 -0.089 0.000 2.280 735 N HA 0.174 4.914 4.740 -0.000 0.000 0.192 735 N C -0.246 175.248 175.510 -0.026 0.000 1.109 735 N CA -0.091 52.875 53.050 -0.139 0.000 0.855 735 N CB 0.022 38.439 38.487 -0.116 0.000 0.974 735 N HN 0.281 nan 8.380 nan 0.000 0.482 736 R N 1.187 121.645 120.500 -0.069 0.000 2.670 736 R HA 0.502 4.842 4.340 -0.000 0.000 0.289 736 R C -2.701 173.234 176.300 -0.609 0.000 0.965 736 R CA -2.007 53.932 56.100 -0.269 0.000 0.899 736 R CB 1.639 31.808 30.300 -0.218 0.000 1.173 736 R HN 0.128 nan 8.270 nan 0.000 0.456 737 P HA 0.024 nan 4.420 nan 0.000 0.271 737 P C -0.529 176.378 177.300 -0.656 0.000 1.218 737 P CA -0.280 62.076 63.100 -1.240 0.000 0.780 737 P CB 0.626 31.572 31.700 -1.257 0.000 0.901 738 N N 2.882 121.323 118.700 -0.433 0.000 2.501 738 N HA 0.086 4.826 4.740 -0.000 0.000 0.245 738 N C 0.517 175.763 175.510 -0.441 0.000 0.974 738 N CA -0.377 52.476 53.050 -0.328 0.000 0.941 738 N CB -0.061 38.344 38.487 -0.136 0.000 1.122 738 N HN 0.057 nan 8.380 nan 0.000 0.507 739 L N 2.842 123.685 121.223 -0.633 0.000 2.622 739 L HA 0.131 4.471 4.340 -0.000 0.000 0.233 739 L C 1.290 177.954 176.870 -0.343 0.000 1.156 739 L CA 0.690 54.996 54.840 -0.890 0.000 0.866 739 L CB -0.658 40.969 42.059 -0.719 0.000 0.980 739 L HN 0.588 nan 8.230 nan 0.000 0.448 740 N N -1.045 117.560 118.700 -0.158 0.000 2.273 740 N HA 0.053 4.793 4.740 -0.000 0.000 0.192 740 N C 0.780 176.319 175.510 0.048 0.000 1.132 740 N CA -0.037 52.997 53.050 -0.026 0.000 0.887 740 N CB 0.880 39.340 38.487 -0.045 0.000 1.048 740 N HN 0.233 nan 8.380 nan 0.000 0.490 741 R N 0.693 121.234 120.500 0.067 0.000 2.340 741 R HA 0.293 4.633 4.340 -0.000 0.000 0.300 741 R C 0.605 177.009 176.300 0.173 0.000 1.069 741 R CA 0.708 56.870 56.100 0.103 0.000 0.984 741 R CB 0.268 30.625 30.300 0.095 0.000 1.003 741 R HN 0.207 nan 8.270 nan 0.000 0.459 742 G N 2.682 111.557 108.800 0.126 0.000 2.176 742 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.252 742 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.252 742 G C 0.541 175.528 174.900 0.146 0.000 1.024 742 G CA 0.769 45.945 45.100 0.127 0.000 0.755 742 G HN 0.761 nan 8.290 nan 0.000 0.507 743 T N -2.911 111.733 114.554 0.151 0.000 3.014 743 T HA 0.351 4.701 4.350 -0.000 0.000 0.250 743 T C 1.126 175.885 174.700 0.097 0.000 1.060 743 T CA 0.652 62.842 62.100 0.151 0.000 1.040 743 T CB 0.563 69.545 68.868 0.190 0.000 0.971 743 T HN 0.451 nan 8.240 nan 0.000 0.497 744 K N 1.968 122.412 120.400 0.074 0.000 2.469 744 K HA 0.072 4.392 4.320 -0.000 0.000 0.274 744 K C 1.440 178.069 176.600 0.048 0.000 0.983 744 K CA -0.165 56.153 56.287 0.051 0.000 0.974 744 K CB 0.575 33.096 32.500 0.036 0.000 0.913 744 K HN 0.035 nan 8.250 nan 0.000 0.493 745 E N 2.966 123.189 120.200 0.040 0.000 2.110 745 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 745 E C 1.117 177.742 176.600 0.041 0.000 0.988 745 E CA 1.474 57.895 56.400 0.035 0.000 0.804 745 E CB 0.223 29.938 29.700 0.025 0.000 0.745 745 E HN 0.710 nan 8.360 nan 0.000 0.458 746 E N 0.096 120.322 120.200 0.043 0.000 2.511 746 E HA -0.129 4.221 4.350 -0.000 0.000 0.196 746 E C 0.438 177.091 176.600 0.088 0.000 1.066 746 E CA 0.597 57.033 56.400 0.061 0.000 0.871 746 E CB -0.036 29.691 29.700 0.044 0.000 0.863 746 E HN 0.164 nan 8.360 nan 0.000 0.520 747 D N 0.609 121.050 120.400 0.068 0.000 2.347 747 D HA 0.027 4.667 4.640 -0.000 0.000 0.213 747 D C 0.634 177.028 176.300 0.158 0.000 0.985 747 D CA 0.355 54.398 54.000 0.073 0.000 0.879 747 D CB 0.098 40.922 40.800 0.039 0.000 0.919 747 D HN 0.197 nan 8.370 nan 0.000 0.526 748 M N 1.478 121.142 119.600 0.107 0.000 2.243 748 M HA 0.243 4.723 4.480 -0.000 0.000 0.341 748 M C -2.095 174.176 176.300 -0.050 0.000 1.130 748 M CA -2.098 53.202 55.300 0.001 0.000 1.162 748 M CB -0.085 32.493 32.600 -0.038 0.000 1.497 748 M HN -0.259 nan 8.290 nan 0.000 0.456 749 P HA 0.139 nan 4.420 nan 0.000 0.279 749 P C -0.874 176.276 177.300 -0.251 0.000 1.282 749 P CA -0.498 62.298 63.100 -0.507 0.000 0.788 749 P CB 0.261 31.597 31.700 -0.608 0.000 1.139 750 Y N 0.391 120.542 120.300 -0.248 0.000 2.712 750 Y HA 0.175 4.725 4.550 -0.000 0.000 0.333 750 Y C -0.409 175.567 175.900 0.127 0.000 1.225 750 Y CA 1.132 59.214 58.100 -0.029 0.000 1.499 750 Y CB 0.119 38.588 38.460 0.014 0.000 1.288 750 Y HN 0.182 nan 8.280 nan 0.000 0.575 751 S N 7.433 122.818 115.700 -0.526 0.000 2.571 751 S HA 0.161 4.631 4.470 -0.000 0.000 0.284 751 S C 0.053 174.287 174.600 -0.610 0.000 1.128 751 S CA -0.832 57.153 58.200 -0.358 0.000 0.970 751 S CB 1.127 64.255 63.200 -0.120 0.000 1.039 751 S HN 0.775 nan 8.310 nan 0.000 0.485 752 F N 3.326 123.068 119.950 -0.347 0.000 2.120 752 F HA -0.159 4.368 4.527 -0.000 0.000 0.300 752 F C 2.314 178.091 175.800 -0.038 0.000 1.095 752 F CA 1.837 59.853 58.000 0.027 0.000 1.249 752 F CB -0.818 38.373 39.000 0.317 0.000 0.995 752 F HN 0.574 nan 8.300 nan 0.000 0.480 753 S N -0.151 115.476 115.700 -0.123 0.000 2.402 753 S HA -0.221 4.249 4.470 -0.000 0.000 0.233 753 S C 1.916 176.399 174.600 -0.194 0.000 1.030 753 S CA 1.454 59.527 58.200 -0.211 0.000 1.003 753 S CB -0.304 62.827 63.200 -0.115 0.000 0.813 753 S HN 0.423 nan 8.310 nan 0.000 0.477 754 K N 0.764 121.059 120.400 -0.175 0.000 2.365 754 K HA 0.109 4.429 4.320 -0.000 0.000 0.197 754 K C 1.037 177.574 176.600 -0.104 0.000 1.042 754 K CA 0.112 56.318 56.287 -0.135 0.000 0.987 754 K CB 0.137 32.556 32.500 -0.135 0.000 0.779 754 K HN 0.438 nan 8.250 nan 0.000 0.484 755 E N 0.000 120.140 120.200 -0.100 0.000 2.725 755 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 755 E CA 0.000 56.423 56.400 0.038 0.000 0.976 755 E CB 0.000 29.848 29.700 0.246 0.000 0.812 755 E HN 0.000 nan 8.360 nan 0.000 0.440